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ZINC Item

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61330250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-methoxy-N-[(4R)-4,5,6,…

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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)	1.69	4.89	-10.94	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

61330253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-methoxy-N-[(4S)-4,5,6,…

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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)	1.69	4.73	-10.86	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

61330257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-3-methyl-N-[(4R)-4,5,6,7…

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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)	2.06	6.57	-8.1	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-3-methyl-N-[(4S)-4,5,6,7…

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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)	2.06	6.41	-8.03	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-methyl-N-[(4R)-4,5,6,7…

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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)	2.08	6.23	-10.44	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-methyl-N-[(4S)-4,5,6,7…

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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)	2.08	6.06	-10.38	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-2-methyl-N-[(4R)-4,5,6,7…

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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)	2.06	6.27	-9.11	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-2-methyl-N-[(4S)-4,5,6,7…

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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)	2.06	6.09	-9.18	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-6-methyl-N-[(4R)-4,5,6,7…

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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)	2.06	5.88	-8.31	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-6-methyl-N-[(4S)-4,5,6,7…

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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)	2.06	5.56	-8.82	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330274

Analogs

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Popular Name: 4-amino-2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-2-chloro-N-[(4R)-4,5,6,7…

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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)	1.90	5.99	-11.8	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-2-chloro-N-[(4S)-4,5,6,7…

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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)	1.90	5.82	-11.71	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-3-methyl-N-[(4R)-4,5,6,7…

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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)	2.08	6.24	-11.09	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-3-methyl-N-[(4S)-4,5,6,7…

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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)	2.08	6.08	-10.99	3	3	0	55	286.4	2	↓ MOL2 SDF SMILES Flexibase

61330283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-chloro-N-[(4R)-4,5,6,7…

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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)	2.31	6.32	-6.65	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-chloro-N-[(4S)-4,5,6,7…

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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)	2.31	6.16	-6.8	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-N-[(4R)-4,5,6,7-tetrahyd…

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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)	1.29	5.47	-10.88	3	3	0	55	272.373	2	↓ MOL2 SDF SMILES Flexibase

61330288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-N-[(4S)-4,5,6,7-tetrahyd…

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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)	1.29	5.31	-10.74	3	3	0	55	272.373	2	↓ MOL2 SDF SMILES Flexibase

61330289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-4-chloro-N-[(4R)-4,5,6,7…

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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)	2.31	6.32	-7.39	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-4-chloro-N-[(4S)-4,5,6,7…

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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)	2.31	6.15	-7.24	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-chloro-N-[(4R)-4,5,6,7…

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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)	1.90	5.98	-11.32	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-chloro-N-[(4S)-4,5,6,7…

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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)	1.90	5.81	-11.19	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-chloro-N-[(4R)-4,5,6,7…

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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)	2.31	6.06	-9.1	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-chloro-N-[(4S)-4,5,6,7…

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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)	2.31	5.89	-9.04	3	3	0	55	306.818	2	↓ MOL2 SDF SMILES Flexibase

61330299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-N-[(4R)-4,5,6,7-tetrahyd…

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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)	1.27	5.47	-10.45	3	3	0	55	272.373	2	↓ MOL2 SDF SMILES Flexibase

61330300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-N-[(4S)-4,5,6,7-tetrahyd…

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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)	1.27	5.3	-10.41	3	3	0	55	272.373	2	↓ MOL2 SDF SMILES Flexibase

61330312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-fluoro-N-[(4R)-4,5,6,7…

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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)	1.79	5.56	-9.5	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-fluoro-N-[(4S)-4,5,6,7…

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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)	1.79	5.4	-9.46	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-fluoro-N-[(4R)-4,5,6,7…

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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)	1.39	5.56	-14.16	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-fluoro-N-[(4S)-4,5,6,7…

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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)	1.39	5.38	-13.86	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330363

Analogs

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Popular Name: 3-amino-5-fluoro-4-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-5-fluoro-4-methyl-N-[(4R…

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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)	2.17	6.27	-8.64	3	3	0	55	304.39	2	↓ MOL2 SDF SMILES Flexibase

61330365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-5-fluoro-4-methyl-N-[(4S…

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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)	2.17	6.11	-8.77	3	3	0	55	304.39	2	↓ MOL2 SDF SMILES Flexibase

61330367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-fluoro-N-[(4R)-4,5,6,7…

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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)	1.79	5.87	-7.09	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330369

Analogs

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Popular Name: 2-amino-5-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-fluoro-N-[(4S)-4,5,6,7…

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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)	1.79	5.71	-7.18	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330416

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Popular Name: 4-amino-3-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-3-fluoro-N-[(4R)-4,5,6,7…

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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)	1.79	5.57	-8.95	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330420

Analogs

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Popular Name: 4-amino-3-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 4-amino-3-fluoro-N-[(4S)-4,5,6,7…

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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)	1.79	5.41	-9.13	3	3	0	55	290.363	2	↓ MOL2 SDF SMILES Flexibase

61330425

Analogs

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Popular Name: 5-amino-2-bromo-4-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-bromo-4-fluoro-N-[(4R)…

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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)	2.53	6.18	-9.94	3	3	0	55	369.259	2	↓ MOL2 SDF SMILES Flexibase

61330427

Analogs

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Popular Name: 5-amino-2-bromo-4-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-bromo-4-fluoro-N-[(4S)…

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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)	2.53	6.02	-9.79	3	3	0	55	369.259	2	↓ MOL2 SDF SMILES Flexibase

61330433

Analogs

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Popular Name: 2-amino-5-methoxy-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-methoxy-N-[(4R)-4,5,6,…

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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)	1.69	5.1	-8.07	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

61330434

Analogs

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Popular Name: 2-amino-5-methoxy-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2-amino-5-methoxy-N-[(4S)-4,5,6,…

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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)	1.69	4.94	-8.2	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

61330460

Analogs

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Popular Name: 2,4-diamino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2,4-diamino-N-[(4R)-4,5,6,7-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)	0.71	3.7	-9.14	5	4	0	81	287.388	2	↓ MOL2 SDF SMILES Flexibase

61330462

Analogs

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Popular Name: 2,4-diamino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 2,4-diamino-N-[(4S)-4,5,6,7-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)	0.71	3.51	-9	5	4	0	81	287.388	2	↓ MOL2 SDF SMILES Flexibase

61330466

Analogs

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Popular Name: 3,5-diamino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3,5-diamino-N-[(4R)-4,5,6,7-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)	0.30	3.33	-11.08	5	4	0	81	287.388	2	↓ MOL2 SDF SMILES Flexibase

61330468

Analogs

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Popular Name: 3,5-diamino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3,5-diamino-N-[(4S)-4,5,6,7-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)	0.30	3.16	-11	5	4	0	81	287.388	2	↓ MOL2 SDF SMILES Flexibase

61330469

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4,5-dichloro-N-[(4R)-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)	2.91	6.5	-7.68	3	3	0	55	341.263	2	↓ MOL2 SDF SMILES Flexibase

61330470

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4,5-dichloro-N-[(4S)-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)	2.91	6.34	-7.74	3	3	0	55	341.263	2	↓ MOL2 SDF SMILES Flexibase

61330478

Analogs

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Popular Name: 3-amino-4-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-bromo-N-[(4R)-4,5,6,7-…

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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)	2.44	6.17	-8.98	3	3	0	55	351.269	2	↓ MOL2 SDF SMILES Flexibase

61330483

Analogs

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Popular Name: 3-amino-4-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 3-amino-4-bromo-N-[(4S)-4,5,6,7-…

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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)	2.44	6.01	-8.88	3	3	0	55	351.269	2	↓ MOL2 SDF SMILES Flexibase

61330486

Analogs

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Popular Name: 5-amino-2-methoxy-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-methoxy-N-[(4R)-4,5,6,…

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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)	1.83	5.95	-13.27	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

61330488

Analogs

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Popular Name: 5-amino-2-methoxy-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzamide 5-amino-2-methoxy-N-[(4S)-4,5,6,…

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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)	1.83	5.79	-13.12	3	4	0	64	302.399	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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