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ZINC Item

Suppliers, Protomers, & Similar Substances

10506372

Analogs

25470522
9879764

Draw Identity 99% 90% 80% 70%

Popular Name: benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-(2-ethoxyethoxy)phenyl]- benzo[b]thiophene-2-carboxamide,…

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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)	4.92	-1.25	-11.17	1	4	0	47	375.877	7	↓ MOL2 SDF SMILES Flexibase

10510813

Analogs

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Popular Name: 3-chloro-N-(4-methylsulfanylphenyl)-benzothiophene-2-carboxamide 3-chloro-N-(4-methylsulfanylphen…

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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)	5.07	-1.15	-10.22	1	2	0	29	333.865	3	↓ MOL2 SDF SMILES Flexibase

10510836

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-5-nitro-benzothiophene-2-carboxamide N-(4-methylsulfanylphenyl)-5-nit…

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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)	4.40	-0.52	-10.89	1	5	0	74	344.417	4	↓ MOL2 SDF SMILES Flexibase

10511269

Analogs

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Popular Name: 3-chloro-N-(4-methylsulfonylphenyl)-benzothiophene-2-carboxamide 3-chloro-N-(4-methylsulfonylphen…

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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	-4.42	-17.64	1	4	0	63	365.863	3	↓ MOL2 SDF SMILES Flexibase

10511307

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-5-nitro-benzothiophene-2-carboxamide N-(4-methylsulfonylphenyl)-5-nit…

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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)	2.84	-3.8	-19.34	1	7	0	109	376.415	4	↓ MOL2 SDF SMILES Flexibase

10511756

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-5-nitro-benzothiophene-2-carboxamide N-(2-methylsulfanylphenyl)-5-nit…

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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)	4.36	-0.26	-10.17	1	5	0	74	344.417	4	↓ MOL2 SDF SMILES Flexibase

10512117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2-methylsulfonylphenyl)-benzothiophene-2-carboxamide 3-chloro-N-(2-methylsulfonylphen…

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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)	3.90	-3.6	-13.13	1	4	0	63	365.863	3	↓ MOL2 SDF SMILES Flexibase

10512154

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-5-nitro-benzothiophene-2-carboxamide N-(2-methylsulfonylphenyl)-5-nit…

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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)	3.23	-2.96	-14.17	1	7	0	109	376.415	4	↓ MOL2 SDF SMILES Flexibase

62041445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3-chloro-4-fluoro-phenyl)-5-methoxy-benzothiophene-2-carboxamide 3-chloro-N-(3-chloro-4-fluoro-ph…

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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)	5.44	8.26	-12.5	1	3	0	38	370.232	3	↓ MOL2 SDF SMILES Flexibase

62041448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-methoxy-N-methyl-N-phenyl-benzothiophene-2-carboxamide 3-chloro-5-methoxy-N-methyl-N-ph…

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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)	4.92	8.67	-12.13	0	3	0	30	331.824	3	↓ MOL2 SDF SMILES Flexibase

62041463

Analogs

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Popular Name: 3-chloro-N-(3-cyanophenyl)-5-methoxy-benzothiophene-2-carboxamide 3-chloro-N-(3-cyanophenyl)-5-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)	4.40	8.08	-15.51	1	4	0	62	342.807	3	↓ MOL2 SDF SMILES Flexibase

62041468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2-cyanophenyl)-5-methoxy-benzothiophene-2-carboxamide 3-chloro-N-(2-cyanophenyl)-5-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)	4.38	8.14	-10.27	1	4	0	62	342.807	3	↓ MOL2 SDF SMILES Flexibase

62041486

Analogs

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Popular Name: N-(3-acetamidophenyl)-3-chloro-5-methoxy-benzothiophene-2-carboxamide N-(3-acetamidophenyl)-3-chloro-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)	3.87	6.59	-16.25	2	5	0	67	374.849	4	↓ MOL2 SDF SMILES Flexibase

62041497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(4-isobutoxyphenyl)-5-methoxy-benzothiophene-2-carboxamide 3-chloro-N-(4-isobutoxyphenyl)-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)	5.85	9.38	-11.57	1	4	0	48	389.904	6	↓ MOL2 SDF SMILES Flexibase

62041526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-3-chloro-5-methoxy-benzothiophene-2-carboxamide N-(4-acetamidophenyl)-3-chloro-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)	3.89	6.6	-15.48	2	5	0	67	374.849	4	↓ MOL2 SDF SMILES Flexibase

52841201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-4-fluoro-benzothiophene-2-carboxamide N-(2,3-dimethyl-5-sulfamoyl-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)	3.60	4.36	-18.66	3	5	0	89	378.45	3	↓ MOL2 SDF SMILES Flexibase

52841204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-4-fluoro-3-methyl-benzothiophene-2-carboxamide N-(2,3-dimethyl-5-sulfamoyl-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)	3.97	4.89	-17.6	3	5	0	89	392.477	3	↓ MOL2 SDF SMILES Flexibase

52930943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamoylphenyl)-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-(4-carbamoylphenyl)-5-fluoro-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)	2.40	5.38	-11.47	3	4	0	72	328.368	3	↓ MOL2 SDF SMILES Flexibase

52937933

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-(2,6-dimethylphenyl)-5-fluoro-…

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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)	3.44	10.1	-7.2	1	2	0	29	313.397	2	↓ MOL2 SDF SMILES Flexibase

52952915

Analogs

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Popular Name: N-[4-(dimethylsulfamoyl)phenyl]-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-[4-(dimethylsulfamoyl)phenyl]-…

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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	6.58	-13.25	1	5	0	66	392.477	4	↓ MOL2 SDF SMILES Flexibase

52954964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-3-methyl-N-(4-methylsulfonylphenyl)benzothiophene-2-carboxamide 5-fluoro-3-methyl-N-(4-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)	2.45	6.13	-15.69	1	4	0	63	363.435	3	↓ MOL2 SDF SMILES Flexibase

52955494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-methoxy-phenyl)-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-(5-acetamido-2-methoxy-phenyl)…

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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)	2.78	6.88	-11.52	2	5	0	67	372.421	4	↓ MOL2 SDF SMILES Flexibase

20000019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methyl-benzothiophene-2-carboxamide 4-fluoro-N-[2-(2-methoxyethoxy)-…

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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)	5.30	9.14	-12.36	1	4	0	48	427.419	7	↓ MOL2 SDF SMILES Flexibase

20005638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide N-[5-(dimethylsulfamoyl)-2-metho…

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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)	3.82	5.93	-19.46	1	6	0	76	422.503	5	↓ MOL2 SDF SMILES Flexibase

20006173

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-fluoro-3-methyl-benzothiophene-2-carboxamide N-(2-chloro-4,6-dimethyl-phenyl)…

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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)	5.96	10.89	-11.07	1	2	0	29	347.842	2	↓ MOL2 SDF SMILES Flexibase

53482754

Analogs

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Popular Name: N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-[2-[[acetyl(ethyl)amino]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)	3.07	11.39	-11.02	1	4	0	49	384.476	5	↓ MOL2 SDF SMILES Flexibase

53505008

Analogs

25516053

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-methyl-phenyl)-5-fluoro-3-methyl-benzothiophene-2-carboxamide N-(5-acetamido-2-methyl-phenyl)-…

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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	8.35	-11.65	2	4	0	58	356.422	3	↓ MOL2 SDF SMILES Flexibase

53513468

Analogs

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Popular Name: 5-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzothiophene-2-carboxamide 5-fluoro-3-methyl-N-[2-methyl-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)	4.25	9.82	-10.85	2	4	0	58	384.476	4	↓ MOL2 SDF SMILES Flexibase

20890482

Analogs

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Popular Name: 6-fluoro-N-methyl-N-phenyl-benzothiophene-2-carboxamide 6-fluoro-N-methyl-N-phenyl-benzo…

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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)	4.42	9.05	-8.06	0	2	0	20	285.343	2	↓ MOL2 SDF SMILES Flexibase

20899258

Analogs

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Popular Name: N-[3-(diethylsulfamoyl)phenyl]-6-fluoro-benzothiophene-2-carboxamide N-[3-(diethylsulfamoyl)phenyl]-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)	4.22	7.71	-17.15	1	5	0	66	406.504	6	↓ MOL2 SDF SMILES Flexibase

22669198

Analogs

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Popular Name: 3-chloro-N-(2-methoxy-6-methyl-phenyl)benzothiophene-2-carboxamide 3-chloro-N-(2-methoxy-6-methyl-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)	5.05	8.67	-12.63	1	3	0	38	331.824	3	↓ MOL2 SDF SMILES Flexibase

22669782

Analogs

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Popular Name: 3-chloro-N-(4-fluorophenyl)-5-methoxy-benzothiophene-2-carboxamide 3-chloro-N-(4-fluorophenyl)-5-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)	4.84	7.76	-12.21	1	3	0	38	335.787	3	↓ MOL2 SDF SMILES Flexibase

12855461

Analogs

14785367

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Popular Name: N-(4-bromo-2-chloro-phenyl)-3,6-dichloro-benzothiophene-2-carboxamide N-(4-bromo-2-chloro-phenyl)-3,6-…

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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)	6.71	10.16	-4.42	1	2	0	29	435.557	2	↓ MOL2 SDF SMILES Flexibase

22702276

Analogs

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Popular Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-5-nitro-benzothiophene-2-carboxamide N-[4-methyl-3-(methylsulfamoyl)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)	3.41	5.73	-22.52	2	8	0	121	405.457	5	↓ MOL2 SDF SMILES Flexibase

13258646

Analogs

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Popular Name: 3-(benzothiophene-2-carbonylamino)-4-methyl-benzoic 3-(benzothiophene-2-carbonylamin…

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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)	4.32	8.37	-65.3	1	4	-1	69	310.354	3	↓ MOL2 SDF SMILES Flexibase

13258664

Analogs

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Popular Name: 3-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]-4-methyl-benzoic 3-[[4-fluoro-3-(methoxymethyl)be…

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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)	4.32	8.05	-70.14	1	5	-1	78	372.397	5	↓ MOL2 SDF SMILES Flexibase

13258717

Analogs

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Popular Name: 4-methyl-3-[(3-methylbenzothiophene-2-carbonyl)amino]benzoic 4-methyl-3-[(3-methylbenzothioph…

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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)	4.70	8.98	-64.59	1	4	-1	69	324.381	3	↓ MOL2 SDF SMILES Flexibase

13259518

Analogs

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Popular Name: 3-(benzothiophene-2-carbonylamino)benzoic 3-(benzothiophene-2-carbonylamin…

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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)	3.92	7.56	-64.41	1	4	-1	69	296.327	3	↓ MOL2 SDF SMILES Flexibase

13259535

Analogs

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Popular Name: 3-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]benzoic 3-[[4-fluoro-3-(methoxymethyl)be…

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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)	3.92	7.19	-68.36	1	5	-1	78	358.37	5	↓ MOL2 SDF SMILES Flexibase

13259588

Analogs

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Popular Name: 3-[(3-methylbenzothiophene-2-carbonyl)amino]benzoic 3-[(3-methylbenzothiophene-2-car…

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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)	4.30	8.13	-63.66	1	4	-1	69	310.354	3	↓ MOL2 SDF SMILES Flexibase

13259734

Analogs

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Popular Name: 4-(benzothiophene-2-carbonylamino)benzoic 4-(benzothiophene-2-carbonylamin…

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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)	3.95	7.57	-55.43	1	4	-1	69	296.327	3	↓ MOL2 SDF SMILES Flexibase

13259751

Analogs

8061723

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Popular Name: 4-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]benzoic 4-[[4-fluoro-3-(methoxymethyl)be…

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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)	3.94	7.22	-58.1	1	5	-1	78	358.37	5	↓ MOL2 SDF SMILES Flexibase

13259804

Analogs

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Popular Name: 4-[(3-methylbenzothiophene-2-carbonyl)amino]benzoic 4-[(3-methylbenzothiophene-2-car…

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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)	4.32	8.14	-54.48	1	4	-1	69	310.354	3	↓ MOL2 SDF SMILES Flexibase

13260209

Analogs

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Popular Name: 2-(benzothiophene-2-carbonylamino)-5-chloro-benzoic 2-(benzothiophene-2-carbonylamin…

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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)	4.73	8.4	-48.99	1	4	-1	69	330.772	3	↓ MOL2 SDF SMILES Flexibase

13260227

Analogs

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Popular Name: 5-chloro-2-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]benzoic 5-chloro-2-[[4-fluoro-3-(methoxy…

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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)	4.73	8	-50.08	1	5	-1	78	392.815	5	↓ MOL2 SDF SMILES Flexibase

13260290

Analogs

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Popular Name: 5-chloro-2-[(3-methylbenzothiophene-2-carbonyl)amino]benzoic 5-chloro-2-[(3-methylbenzothioph…

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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)	5.11	9.01	-50.39	1	4	-1	69	344.799	3	↓ MOL2 SDF SMILES Flexibase

13260419

Analogs

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Popular Name: 2-(benzothiophene-2-carbonylamino)-5-bromo-benzoic 2-(benzothiophene-2-carbonylamin…

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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)	4.86	8.51	-48.97	1	4	-1	69	375.223	3	↓ MOL2 SDF SMILES Flexibase

13260435

Analogs

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Popular Name: 5-bromo-2-[[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]amino]benzoic 5-bromo-2-[[4-fluoro-3-(methoxym…

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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)	4.86	8.12	-50.04	1	5	-1	78	437.266	5	↓ MOL2 SDF SMILES Flexibase

13260480

Analogs

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Popular Name: 5-bromo-2-[(3-methylbenzothiophene-2-carbonyl)amino]benzoic 5-bromo-2-[(3-methylbenzothiophe…

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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)	5.24	9.12	-50.43	1	4	-1	69	389.25	3	↓ MOL2 SDF SMILES Flexibase

13260959

Analogs

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Popular Name: 2-(benzothiophene-2-carbonylamino)-4,5-dimethoxy-benzoic 2-(benzothiophene-2-carbonylamin…

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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	7.17	-52.11	1	6	-1	88	356.379	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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