ATB | Existing Molecules

Selected Molecules (301-400 of 426)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
573498	C₆H₁₄O₂	1,1-Diethoxyethane	1,1-Diethoxyethane	1338583	4	22	0	ATB	Public
570705	C₁₀H₁₉O₆PS₂	-	Diethyl(2R)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...	1200468	3	38	0	ATB	Public
534734	C₂H₃O₂	acetic acid	-	539	4	7	-1	ATB	Public
514411	C₂H₆OS	Methylsulfinylmethane ...	Dimethylsulfoxide	504	1	10	0	ATB	Public
482818	C₁₀H₁₉O₆PS₂	-	Diethyl(2R)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...	1200468	3	38	0	ATB	Public
478925	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
478170	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
478169	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
478064	C₁₀H₂₂	Decane	Decane	134537	3	32	0	ATB	Public
461175	C₂H₆OS	Methylsulfinylmethane ...	Dimethylsulfoxide	504	1	10	0	ATB	Public
459608	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
459244	C₇H₈O	phenylmethanol	Benzylalcohol	720	3	16	0	ATB	Public
459243	C₇H₈O	phenylmethanol	Benzylalcohol	720	3	16	0	ATB	Public
459145	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
367692	C₇H₈O	phenylmethanol	Benzylalcohol	720	3	16	0	ATB	Public
366223	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
366130	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
366129	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
366128	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
366127	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
366124	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
366123	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
363282	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
363204	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
363203	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
361969	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
361968	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
360107	C₈H₉NO₂	N-(4-Hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
358737	C₂H₆OS	Methylsulfinylmethane ...	Dimethylsulfoxide	504	1	10	0	ATB	Public
352146	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
351559	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
339612	C₁₀H₂₂	Decane	Decane	134537	3	32	0	ATB	Public
339293	C₆H₁₁O₂	Hexanoic acid	1-λ¹-oxidanylhexan-1-one ...	14184	4	19	-1	ATB	Public
339292	C₆H₁₁O₂	Hexanoic acid	1-λ¹-oxidanylhexan-1-one ...	14184	4	19	-1	ATB	Public
331292	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
330927	C₆H₆O	PHENOL	Phenol	14060	1	13	0	ATB	Public
323999	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
323998	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
323997	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
323996	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
323995	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
308940	C₈H₉NO₂	N-(4-Hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
181152	C₁₀H₂₀O	(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol ...	L-(-)-Menthol	470670	4	31	0	ATB	Public
102066	C₂H₅NO	ACETAMIDE	Acetamide	16081	2	9	0	ATB	Public
67742	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
37011	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
35515	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
35492	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
35489	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
35354	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
35120	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
34101	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
34100	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
32826	C₂H₅NO	ACETAMIDE	Acetamide	16081	2	9	0	ATB	Public
32242	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
30887	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
30886	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
30885	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
30578	C₄H₁₁N₂	-	-		4	17	1	ATB	Public
30574	C₆H₁₄N	cyclohexylazanium	Cyclohexanaminium		3	21	1	ATB	Public
30496	C₇H₇NO	Benzamide	Benzamide	267373	4	16	0	ATB	Public
30470	C₈H₁₀O	2-PHENYLETHANOL	Phenylethylalcohol	448500	4	19	0	ATB	Public
30433	C₁₀H₂₀O	(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol ...	L-(-)-Menthol	470670	4	31	0	ATB	Public
30426	C₇H₁₄O	Heptanal	Heptanal	18104	4	22	0	ATB	Public
30411	C₄H₈O	BUTANAL	Butyraldehyde	1478334	4	13	0	ATB	Public
30405	C₅H₁₂O	Pentan-1-ol	pentanol	14568	3	18	0	ATB	Public
30400	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
30398	C₅H₁₀O	Pentanal	Valeraldehyde	18602	4	16	0	ATB	Public
30337	C₆H₁₄O₂	1,1-Diethoxyethane	1,1-Diethoxyethane	1338583	4	22	0	ATB	Public
30323	C₅H₁₂O	(2R)-pentan-2-ol	(2R)-2-Pentanol		3	18	0	ATB	Public
30229	C₇H₈O	phenylmethanol	Benzylalcohol	720	3	16	0	ATB	Public
30219	C₁₀H₂₀O	-	2-Decanone	47127	3	31	0	ATB	Public
30210	C₁₀H₁₉O₆PS₂	-	Diethyl(2R)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...	1200468	3	38	0	ATB	Public
29996	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
29980	C₈H₉NO₂	N-(4-Hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
29914	C₈H₇O₂	2-phenylacetate	Phenylacetate	1044	2	17	-1	ATB	Public
29659	C₄H₇O₂	butanoic acid	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
29605	C₆H₁₂O₆	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol ...	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
29417	C₅H₁₂N	-	-		2	18	1	ATB	Public
29325	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
28943	C₄H₇O₂	butanoic acid	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
28397	C₃H₅O₂	-	Propionicacid	14021	4	10	-1	ATB	Public
27717	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
26448	C₆H₆O₂	Benzene-1,4-diol	Hydroquinone	537	4	14	0	ATB	Public
26361	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
24228	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
23392	C₃H₆O	propanal	Propionaldehyde	275626	4	10	0	ATB	Public
21876	C₅H₁₂O	Pentan-1-ol	pentanol	14568	3	18	0	ATB	Public
21339	C₄H₁₀O	Ethoxyethane	Diethylether	16264	3	15	0	ATB	Public
19775	C₃H₈O₃	PROPANE-1,2,3-TRIOL	glycerine	692	4	14	0	ATB	Public
10489	C₈H₇O₂	2-phenylacetate	Phenylacetate	1044	2	17	-1	ATB	Public
10199	C₂H₃O₃	2-hydroxyacetate	2-hydroxy-1-λ¹-oxidanyl-ethanone ...	252557	4	8	-1	ATB	Public
9960	C₃H₅O₂	-	Propionicacid	14021	4	10	-1	ATB	Public
8515	C₇H₅O₂	benzoic acid	phenylmethanedione	541	4	14	-1	ATB	Public
8442	C₆H₁₄N	cyclohexylazanium	Cyclohexanaminium		3	21	1	ATB	Public
8070	C₃H₁₀N	-	-		2	14	1	ATB	Public
8039	C₁₇H₂₁NO	2-[di(phenyl)methoxy]-N,N-dimethylethanamine ...	Diphenhydramine	657	4	40	0	ATB	Public
7921	C₈H₇O₂	2-phenylacetate	Phenylacetate	1044	2	17	-1	ATB	Public
6086	C₆H₁₁O₂	Hexanoic acid	1-λ¹-oxidanylhexan-1-one ...	14184	4	19	-1	ATB	Public
6085	C₄H₇O₂	butanoic acid	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public