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ZINC Item

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13679987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-6-phenyl-4H-thieno[2,3-e]pyridin-5-one 7-hydroxy-6-phenyl-4H-thieno[2,3…

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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)	2.65	4.3	-51.7	1	3	-1	56	242.279	1	↓ MOL2 SDF SMILES Flexibase

49409439

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide N-[2-(3,4-dimethoxyphenyl)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)	1.50	4.55	-57.44	2	7	-1	103	373.41	6	↓ MOL2 SDF SMILES Flexibase

49409441

Analogs

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Popular Name: N-(4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide N-(4-fluorophenyl)-7-hydroxy-5-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)	1.91	4.37	-50.5	2	5	-1	85	303.294	2	↓ MOL2 SDF SMILES Flexibase

49409443

Analogs

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Popular Name: 7-hydroxy-4-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-4-methyl-5-oxo-N-[3-(t…

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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)	3.14	7.2	-52.28	1	5	-1	74	367.328	3	↓ MOL2 SDF SMILES Flexibase

49409445

Analogs

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Popular Name: ethyl 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)	2.81	7.72	-55.61	1	7	-1	100	371.394	5	↓ MOL2 SDF SMILES Flexibase

49409447

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3,4-dimethoxyphenyl)-7-hydrox…

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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)	1.91	5.39	-56.92	1	7	-1	93	359.383	4	↓ MOL2 SDF SMILES Flexibase

49409448

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,5-dimethoxyphenyl)-7-hydrox…

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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)	2.31	4.88	-64.95	1	7	-1	93	359.383	4	↓ MOL2 SDF SMILES Flexibase

49409450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,4-dimethoxyphenyl)-7-hydrox…

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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)	2.31	4.89	-59.29	1	7	-1	93	359.383	4	↓ MOL2 SDF SMILES Flexibase

49409452

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	2.93	6.04	-53.31	1	6	-1	83	363.802	3	↓ MOL2 SDF SMILES Flexibase

49409454

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3,4-dimethylphenyl)-7-hydroxy…

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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)	3.09	7.29	-58.78	1	5	-1	74	327.385	2	↓ MOL2 SDF SMILES Flexibase

49409456

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-[2-chloro-5-(trifluoromethyl)p…

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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)	3.77	7.8	-54.7	1	5	-1	74	401.773	3	↓ MOL2 SDF SMILES Flexibase

49409458

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(4-bromo-2-fluoro-phenyl)-7-hy…

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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)	3.17	6.91	-51.17	1	5	-1	74	396.217	2	↓ MOL2 SDF SMILES Flexibase

49409460

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3-fluoro-4-methyl-phenyl)-7-h…

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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)	2.81	6.77	-58.68	1	5	-1	74	331.348	2	↓ MOL2 SDF SMILES Flexibase

49409462

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(5-chloro-2-methoxy-phenyl)-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)	2.93	6.1	-59.6	1	6	-1	83	363.802	3	↓ MOL2 SDF SMILES Flexibase

49409464

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,3-dimethylphenyl)-7-hydroxy…

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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)	3.07	7.51	-59.29	1	5	-1	74	327.385	2	↓ MOL2 SDF SMILES Flexibase

49409466

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,4-dimethylphenyl)-7-hydroxy…

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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)	3.09	7.65	-59.13	1	5	-1	74	327.385	2	↓ MOL2 SDF SMILES Flexibase

49409468

Analogs

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Popular Name: 7-hydroxy-4-methyl-5-oxo-N-(p-tolyl)thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-4-methyl-5-oxo-N-(p-to…

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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)	2.71	6.74	-57.95	1	5	-1	74	313.358	2	↓ MOL2 SDF SMILES Flexibase

49409470

Analogs

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

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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)	2.90	6.79	-56.32	1	5	-1	74	333.776	2	↓ MOL2 SDF SMILES Flexibase

49409472

Analogs

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Popular Name: N-(4-bromophenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(4-bromophenyl)-7-hydroxy-4-me…

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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)	3.08	6.81	-53.05	1	5	-1	74	378.227	2	↓ MOL2 SDF SMILES Flexibase

49409474

Analogs

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

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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	5.48	-57.54	1	6	-1	83	329.357	3	↓ MOL2 SDF SMILES Flexibase

49409476

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-[4-chloro-3-(trifluoromethyl)p…

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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)	3.77	7.61	-48.24	1	5	-1	74	401.773	3	↓ MOL2 SDF SMILES Flexibase

49409478

Analogs

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Popular Name: N-(2-ethylphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-ethylphenyl)-7-hydroxy-4-me…

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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)	3.13	7.52	-58.21	1	5	-1	74	327.385	3	↓ MOL2 SDF SMILES Flexibase

49409480

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-chloro-4-methyl-phenyl)-7-h…

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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)	3.32	7.41	-56.41	1	5	-1	74	347.803	2	↓ MOL2 SDF SMILES Flexibase

49409482

Analogs

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Popular Name: N-(2-ethoxyphenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-ethoxyphenyl)-7-hydroxy-4-m…

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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)	2.65	6.45	-60.98	1	6	-1	83	343.384	4	↓ MOL2 SDF SMILES Flexibase

49409484

Analogs

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Popular Name: 7-hydroxy-N-(2-methoxy-5-methyl-phenyl)-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-N-(2-methoxy-5-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)	2.70	6.16	-61.55	1	6	-1	83	343.384	3	↓ MOL2 SDF SMILES Flexibase

49409486

Analogs

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Popular Name: 7-hydroxy-N-(4-isopropylphenyl)-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-N-(4-isopropylphenyl)-…

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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)	3.78	7.98	-57.46	1	5	-1	74	341.412	3	↓ MOL2 SDF SMILES Flexibase

49409488

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(4-fluoro-2-methyl-phenyl)-7-h…

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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)	2.81	6.83	-52.83	1	5	-1	74	331.348	2	↓ MOL2 SDF SMILES Flexibase

49409490

Analogs

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Popular Name: N-(3-bromophenyl)-7-hydroxy-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3-bromophenyl)-7-hydroxy-4-me…

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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)	3.05	6.81	-53.24	1	5	-1	74	378.227	2	↓ MOL2 SDF SMILES Flexibase

49409492

Analogs

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Popular Name: 7-hydroxy-N-(4-methoxy-2-methyl-phenyl)-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-N-(4-methoxy-2-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)	2.70	6.2	-56.95	1	6	-1	83	343.384	3	↓ MOL2 SDF SMILES Flexibase

49409493

Analogs

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Popular Name: 7-hydroxy-N-(3-isopropylphenyl)-4-methyl-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-N-(3-isopropylphenyl)-…

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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)	3.75	7.97	-57.57	1	5	-1	74	341.412	3	↓ MOL2 SDF SMILES Flexibase

49409495

Analogs

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Popular Name: 4-ethyl-7-hydroxy-5-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-7-hydroxy-5-oxo-N-[3-(tr…

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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)	3.51	8.06	-52.99	1	5	-1	74	381.355	4	↓ MOL2 SDF SMILES Flexibase

49409497

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3,4-dimethoxyphenyl)-4-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)	2.29	6.25	-57.69	1	7	-1	93	373.41	5	↓ MOL2 SDF SMILES Flexibase

49409499

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,5-dimethoxyphenyl)-4-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)	2.68	5.73	-65.89	1	7	-1	93	373.41	5	↓ MOL2 SDF SMILES Flexibase

49409501

Analogs

1534467

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Popular Name: N-(2,5-dimethylphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,5-dimethylphenyl)-4-ethyl-7…

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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)	3.47	8.52	-60.22	1	5	-1	74	341.412	3	↓ MOL2 SDF SMILES Flexibase

49409503

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3-chloro-4-methyl-phenyl)-4-e…

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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)	3.70	8.16	-54.62	1	5	-1	74	361.83	3	↓ MOL2 SDF SMILES Flexibase

49409505

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(3-chloro-2-methyl-phenyl)-4-e…

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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)	3.67	8.3	-54.18	1	5	-1	74	361.83	3	↓ MOL2 SDF SMILES Flexibase

49409507

Analogs

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Popular Name: 4-ethyl-N-(3-fluoro-4-methyl-phenyl)-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-N-(3-fluoro-4-methyl-phe…

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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)	3.18	7.76	-54.19	1	5	-1	74	345.375	3	↓ MOL2 SDF SMILES Flexibase

49409509

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-bromo-4-methyl-phenyl)-4-et…

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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)	3.83	8.45	-56.96	1	5	-1	74	406.281	3	↓ MOL2 SDF SMILES Flexibase

49409511

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(5-chloro-2-methoxy-phenyl)-4-…

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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)	3.30	6.96	-60.37	1	6	-1	83	377.829	4	↓ MOL2 SDF SMILES Flexibase

49409513

Analogs

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Popular Name: N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,4-difluorophenyl)-4-ethyl-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)	2.90	7.22	-51.57	1	5	-1	74	349.338	3	↓ MOL2 SDF SMILES Flexibase

49409515

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(5-chloro-2-methyl-phenyl)-4-e…

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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)	3.70	8.36	-58.3	1	5	-1	74	361.83	3	↓ MOL2 SDF SMILES Flexibase

49409516

Analogs

1534467

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Popular Name: N-(2,4-dimethylphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,4-dimethylphenyl)-4-ethyl-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)	3.47	8.51	-59.65	1	5	-1	74	341.412	3	↓ MOL2 SDF SMILES Flexibase

49409518

Analogs

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Popular Name: 4-ethyl-7-hydroxy-N-(2-methoxyphenyl)-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-7-hydroxy-N-(2-methoxyph…

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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)	2.65	6.46	-61.97	1	6	-1	83	343.384	4	↓ MOL2 SDF SMILES Flexibase

49409520

Analogs

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Popular Name: N-(4-ethoxyphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(4-ethoxyphenyl)-4-ethyl-7-hyd…

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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)	3.07	7.27	-58.17	1	6	-1	83	357.411	5	↓ MOL2 SDF SMILES Flexibase

49409522

Analogs

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Popular Name: 4-ethyl-7-hydroxy-5-oxo-N-(3,4,5-trimethoxyphenyl)thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-7-hydroxy-5-oxo-N-(3,4,5…

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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)	2.27	6.19	-56.89	1	8	-1	102	403.436	6	↓ MOL2 SDF SMILES Flexibase

49409524

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2,3-dihydro-1,4-benzodioxin-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)	2.15	6.19	-58.23	1	7	-1	93	371.394	3	↓ MOL2 SDF SMILES Flexibase

49409526

Analogs

1534467

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-(4-ethylphenyl)-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-N-(4-ethylphenyl)-7-hydr…

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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)	3.56	8.43	-58.17	1	5	-1	74	341.412	4	↓ MOL2 SDF SMILES Flexibase

49409528

Analogs

1534467

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-7-hydroxy-N-(3-methylsulfanylphenyl)-5-oxo-thieno[3,2-b]pyridine-6-carboxamide 4-ethyl-7-hydroxy-N-(3-methylsul…

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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)	3.05	8.07	-58.2	1	5	-1	74	359.452	4	↓ MOL2 SDF SMILES Flexibase

49409530

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-chloro-4-methyl-phenyl)-4-e…

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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)	3.70	8.33	-57.05	1	5	-1	74	361.83	3	↓ MOL2 SDF SMILES Flexibase

49409532

Analogs

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Popular Name: N-(2-ethoxyphenyl)-4-ethyl-7-hydroxy-5-oxo-thieno[3,2-b]pyridine-6-carboxamide N-(2-ethoxyphenyl)-4-ethyl-7-hyd…

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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)	3.03	7.38	-62.13	1	6	-1	83	357.411	5	↓ MOL2 SDF SMILES Flexibase

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