ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	8.88	-15.67	2	6	0	80	362.433	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.56	9.33	-34.83	3	6	1	81	363.441	4	↓ MOL2 SDF SMILES Flexibase

19455592

Analogs

198370

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Popular Name: N-[(1S)-1-methyl-4-phenyl-butyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyridine-3-carboxamide N-[(1S)-1-methyl-4-phenyl-butyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.88	-15.09	2	4	0	62	324.424	6	↓ MOL2 SDF SMILES Flexibase

19455594

Analogs

198370

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Popular Name: N-[(1R)-1-methyl-4-phenyl-butyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyridine-3-carboxamide N-[(1R)-1-methyl-4-phenyl-butyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.88	-14.9	2	4	0	62	324.424	6	↓ MOL2 SDF SMILES Flexibase

19455755

Analogs

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Popular Name: N-[(1S)-3-(4-fluorophenyl)-1-methyl-propyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyridine-3-carboxam N-[(1S)-3-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.18	-13.93	2	4	0	62	328.387	5	↓ MOL2 SDF SMILES Flexibase

19455757

Analogs

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Popular Name: N-[(1R)-3-(4-fluorophenyl)-1-methyl-propyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[e]pyridine-3-carboxam N-[(1R)-3-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.17	-13.95	2	4	0	62	328.387	5	↓ MOL2 SDF SMILES Flexibase

69514405

Analogs

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Popular Name: N-methyl-N-[2-(1-naphthyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-methyl-N-[2-(1-naphthyl)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	10.24	-20.18	1	4	0	53	346.43	4	↓ MOL2 SDF SMILES Flexibase

69570853

Analogs

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Popular Name: N-(cyclohexylmethyl)-N-(2-dimethylaminoethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbox N-(cyclohexylmethyl)-N-(2-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	9.19	-38.91	2	5	1	58	346.495	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.71	-11.32	1	5	0	56	345.487	6	↓ MOL2 SDF SMILES Flexibase

69769639

Analogs

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Popular Name: 1-benzyl-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide 1-benzyl-N-[(2-oxo-1,5,6,7-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	5.54	-17.95	2	7	0	93	349.394	5	↓ MOL2 SDF SMILES Flexibase

69814604

Analogs

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Popular Name: 3-[(2S)-2-(2-thienyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 3-[(2S)-2-(2-thienyl)pyrrolidine…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	7.46	-20.04	1	4	0	53	314.41	2	↓ MOL2 SDF SMILES Flexibase

69814606

Analogs

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Popular Name: 3-[(2R)-2-(2-thienyl)pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 3-[(2R)-2-(2-thienyl)pyrrolidine…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	7.46	-19.86	1	4	0	53	314.41	2	↓ MOL2 SDF SMILES Flexibase

69869350

Analogs

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Popular Name: 5-methyl-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-1-(2-pyridyl)pyrazole-4-carbo 5-methyl-N-[(2-oxo-1,5,6,7-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.18	6.67	-19.38	2	7	0	93	349.394	4	↓ MOL2 SDF SMILES Flexibase

69874439

Analogs

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Popular Name: 2-[(2-chlorophenyl)methoxy]-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]acetamide 2-[(2-chlorophenyl)methoxy]-N-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	7.03	-17.31	2	5	0	71	346.814	6	↓ MOL2 SDF SMILES Flexibase

69879352

Analogs

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Popular Name: 4-bromo-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]benzamide 4-bromo-N-[(2-oxo-1,5,6,7-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6	-14.1	2	4	0	62	347.212	3	↓ MOL2 SDF SMILES Flexibase

69898746

Analogs

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Popular Name: N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]-2-phenyl-pyrimidine-5-carboxamide N-[(2-oxo-1,5,6,7-tetrahydrocycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	6.68	-16.13	2	6	0	88	346.39	4	↓ MOL2 SDF SMILES Flexibase

69898937

Analogs

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Popular Name: 2-[4-(difluoromethoxy)phenyl]-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]acetamide 2-[4-(difluoromethoxy)phenyl]-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	5.63	-19.59	2	5	0	71	348.349	6	↓ MOL2 SDF SMILES Flexibase

67630301

Analogs

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Popular Name: N-(4-bromophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(4-bromophenyl)-2-oxo-1,5,6,7-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	6.19	-11.14	2	4	0	62	333.185	2	↓ MOL2 SDF SMILES Flexibase

49543699

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[2-(2-methoxyphenyl)ethyl]-2-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.8	-15.1	2	5	0	71	312.369	5	↓ MOL2 SDF SMILES Flexibase

49543726

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[(4-methoxyphenyl)methyl]-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	4.97	-13.56	2	5	0	71	298.342	4	↓ MOL2 SDF SMILES Flexibase

49543728

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[2-(4-methoxyphenyl)ethyl]-2-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	5.75	-14.18	2	5	0	71	312.369	5	↓ MOL2 SDF SMILES Flexibase

49543757

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[(2-methoxyphenyl)methyl]-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	5.01	-15.4	2	5	0	71	298.342	4	↓ MOL2 SDF SMILES Flexibase

49543787

Analogs

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Popular Name: N-[[(1S)-isochroman-1-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[[(1S)-isochroman-1-yl]methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	5.72	-14.63	2	5	0	71	324.38	3	↓ MOL2 SDF SMILES Flexibase

49543788

Analogs

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Popular Name: N-[[(1R)-isochroman-1-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[[(1R)-isochroman-1-yl]methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	5.78	-14.81	2	5	0	71	324.38	3	↓ MOL2 SDF SMILES Flexibase

49543809

Analogs

39263479

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Popular Name: 2-oxo-N-phenethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide 2-oxo-N-phenethyl-1,5,6,7-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	6.45	-12.91	2	4	0	62	282.343	4	↓ MOL2 SDF SMILES Flexibase

49543813

Analogs

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Popular Name: N-isopentyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-isopentyl-2-oxo-1,5,6,7-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	4.71	-11.74	2	4	0	62	248.326	4	↓ MOL2 SDF SMILES Flexibase

49543814

Analogs

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Popular Name: N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(2-methoxyethyl)-2-oxo-1,5,6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	1.74	-13.49	2	5	0	71	236.271	4	↓ MOL2 SDF SMILES Flexibase

49543819

Analogs

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Popular Name: N-(3-methoxypropyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(3-methoxypropyl)-2-oxo-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.64	2.49	-12.68	2	5	0	71	250.298	5	↓ MOL2 SDF SMILES Flexibase

49543820

Analogs

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Popular Name: N-isopropyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-isopropyl-2-oxo-1,5,6,7-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	3.48	-11.99	2	4	0	62	220.272	2	↓ MOL2 SDF SMILES Flexibase

49543823

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(2-dimethylaminoethyl)-2-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.41	3.95	-38.18	3	5	1	66	250.322	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.41	1.48	-12.06	2	5	0	65	249.314	4	↓ MOL2 SDF SMILES Flexibase

49544111

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(4-methoxyphenyl)-2-oxo-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.14	4.86	-13.56	2	5	0	71	284.315	3	↓ MOL2 SDF SMILES Flexibase

49545238

Analogs

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Popular Name: N-cyclopentyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-cyclopentyl-2-oxo-1,5,6,7-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	4.83	-11.93	2	4	0	62	246.31	2	↓ MOL2 SDF SMILES Flexibase

49545988

Analogs

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Popular Name: 2-oxo-N-(2-pyridylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide 2-oxo-N-(2-pyridylmethyl)-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.61	3.83	-15.68	2	5	0	75	269.304	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.61	4.23	-34.22	3	5	1	76	270.312	3	↓ MOL2 SDF SMILES Flexibase

49546035

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[(3-chlorophenyl)methyl]-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	6.18	-12.37	2	4	0	62	302.761	3	↓ MOL2 SDF SMILES Flexibase

49546105

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(3-methoxyphenyl)-2-oxo-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	4.86	-14.12	2	5	0	71	284.315	3	↓ MOL2 SDF SMILES Flexibase

49546426

Analogs

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Popular Name: N-(4-chlorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(4-chlorophenyl)-2-oxo-1,5,6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	6.08	-11.24	2	4	0	62	288.734	2	↓ MOL2 SDF SMILES Flexibase

49546612

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[(2-chlorophenyl)methyl]-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	6.08	-13.58	2	4	0	62	302.761	3	↓ MOL2 SDF SMILES Flexibase

49546983

Analogs

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Popular Name: 3-(indoline-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 3-(indoline-1-carbonyl)-1,5,6,7-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	7.34	-21.74	1	4	0	53	280.327	1	↓ MOL2 SDF SMILES Flexibase

49547176

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-[(4-chlorophenyl)methyl]-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	6.19	-11.68	2	4	0	62	302.761	3	↓ MOL2 SDF SMILES Flexibase

49547505

Analogs

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Popular Name: N-(4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(4-fluorophenyl)-2-oxo-1,5,6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	5.63	-11.51	2	4	0	62	272.279	2	↓ MOL2 SDF SMILES Flexibase

49547928

Analogs

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Popular Name: 2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide 2-oxo-N-[3-(trifluoromethyl)phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	6.58	-11.55	2	4	0	62	322.286	3	↓ MOL2 SDF SMILES Flexibase

49548048

Analogs

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Popular Name: N-(2-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(2-fluorophenyl)-2-oxo-1,5,6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.67	-14.09	2	4	0	62	272.279	2	↓ MOL2 SDF SMILES Flexibase

49548573

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(2-methoxyphenyl)-2-oxo-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	4.98	-15.36	2	5	0	71	284.315	3	↓ MOL2 SDF SMILES Flexibase

49549626

Analogs

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Popular Name: N-benzyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-benzyl-2-oxo-1,5,6,7-tetrahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.67	-12.77	2	4	0	62	268.316	3	↓ MOL2 SDF SMILES Flexibase

49550324

Analogs

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Popular Name: 2-oxo-N-(3-pyridylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide 2-oxo-N-(3-pyridylmethyl)-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.54	3.88	-13.74	2	5	0	75	269.304	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.54	4.35	-37.64	3	5	1	76	270.312	3	↓ MOL2 SDF SMILES Flexibase

49551133

Analogs

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Popular Name: 2-oxo-N-(4-pyridylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide 2-oxo-N-(4-pyridylmethyl)-1,5,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.49	3.9	-13.23	2	5	0	75	269.304	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.49	4.36	-38.92	3	5	1	76	270.312	3	↓ MOL2 SDF SMILES Flexibase

49551153

Analogs

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Popular Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one 3-(3,4-dihydro-1H-isoquinoline-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	7.48	-19.92	1	4	0	53	294.354	1	↓ MOL2 SDF SMILES Flexibase

49551164

Analogs

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Popular Name: N-(2-morpholinoethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide N-(2-morpholinoethyl)-2-oxo-1,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	1.15	-12.89	2	6	0	74	291.351	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.26	3.4	-39.07	3	6	1	76	292.359	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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