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40337390

Analogs

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Popular Name: (5-amino-2-chloro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-chloro-phenyl)-[(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)	2.41	6.54	-10.62	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337392

Analogs

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Popular Name: (5-amino-2-chloro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-chloro-phenyl)-[(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)	2.41	6.65	-10.4	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337394

Analogs

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Popular Name: (2-amino-4-chloro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-4-chloro-phenyl)-[(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)	2.82	6.7	-6.44	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337396

Analogs

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Popular Name: (2-amino-4-chloro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-4-chloro-phenyl)-[(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)	2.82	6.9	-6.96	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337399

Analogs

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Popular Name: (4-amino-2-chloro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (4-amino-2-chloro-phenyl)-[(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)	2.41	6.55	-11.07	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-2-chloro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (4-amino-2-chloro-phenyl)-[(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)	2.41	6.65	-10.72	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337402

Analogs

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Popular Name: (2-amino-5-chloro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-5-chloro-phenyl)-[(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)	2.82	6.68	-6.52	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337404

Analogs

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Popular Name: (2-amino-5-chloro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-5-chloro-phenyl)-[(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)	2.82	6.9	-7.06	2	3	0	46	306.818	1	↓ MOL2 SDF SMILES Flexibase

40337406

Analogs

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Popular Name: (3-amino-4-methoxy-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-methoxy-phenyl)-[(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)	2.20	5.47	-9.71	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337408

Analogs

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Popular Name: (3-amino-4-methoxy-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-methoxy-phenyl)-[(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)	2.20	5.58	-9.07	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-methyl-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-2-methyl-phenyl)-[(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)	2.57	7.01	-9.43	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-methyl-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-2-methyl-phenyl)-[(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)	2.57	6.83	-8.23	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-3-methyl-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-3-methyl-phenyl)-[(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)	2.57	7.12	-8.23	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-3-methyl-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-3-methyl-phenyl)-[(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)	2.57	6.94	-7.2	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-methyl-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-6-methyl-phenyl)-[(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)	2.57	6.9	-8.62	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-methyl-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-6-methyl-phenyl)-[(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)	2.57	6.69	-7.48	2	3	0	46	286.4	1	↓ MOL2 SDF SMILES Flexibase

40337425

Analogs

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Popular Name: (3-amino-4-fluoro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-fluoro-phenyl)-[(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)	2.31	6.13	-8.52	2	3	0	46	290.363	1	↓ MOL2 SDF SMILES Flexibase

40337427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-fluoro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-fluoro-phenyl)-[(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)	2.31	6.25	-8.13	2	3	0	46	290.363	1	↓ MOL2 SDF SMILES Flexibase

40337437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-fluoro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-fluoro-phenyl)-[(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)	1.90	6.09	-12.9	2	3	0	46	290.363	1	↓ MOL2 SDF SMILES Flexibase

40337439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-fluoro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-fluoro-phenyl)-[(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)	1.90	6.24	-12.41	2	3	0	46	290.363	1	↓ MOL2 SDF SMILES Flexibase

40337465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-5-fluoro-4-methyl-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-5-fluoro-4-methyl-pheny…

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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	6.98	-10.15	2	3	0	46	304.39	1	↓ MOL2 SDF SMILES Flexibase

40337467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-5-fluoro-4-methyl-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-5-fluoro-4-methyl-pheny…

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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	6.77	-7.48	2	3	0	46	304.39	1	↓ MOL2 SDF SMILES Flexibase

40337468

Analogs

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Popular Name: (2-amino-5-methoxy-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-5-methoxy-phenyl)-[(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)	2.20	5.47	-7.83	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337470

Analogs

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Popular Name: (2-amino-5-methoxy-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2-amino-5-methoxy-phenyl)-[(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)	2.20	5.67	-8.47	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337484

Analogs

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Popular Name: (3-amino-4-bromo-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-bromo-phenyl)-[(4R)-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)	2.95	6.75	-7.96	2	3	0	46	351.269	1	↓ MOL2 SDF SMILES Flexibase

40337486

Analogs

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Popular Name: (3-amino-4-bromo-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4-bromo-phenyl)-[(4S)-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)	2.95	6.86	-7.8	2	3	0	46	351.269	1	↓ MOL2 SDF SMILES Flexibase

40337488

Analogs

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Popular Name: (5-amino-2-methoxy-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-methoxy-phenyl)-[(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)	2.34	6.23	-12.17	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337489

Analogs

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Popular Name: (5-amino-2-methoxy-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2-methoxy-phenyl)-[(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)	2.34	5.71	-12.16	2	4	0	56	302.399	2	↓ MOL2 SDF SMILES Flexibase

40337495

Analogs

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Popular Name: (2,4-diaminophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2,4-diaminophenyl)-[(4R)-4-meth…

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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)	1.22	4.04	-8.15	4	4	0	72	287.388	1	↓ MOL2 SDF SMILES Flexibase

40337497

Analogs

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Popular Name: (2,4-diaminophenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (2,4-diaminophenyl)-[(4S)-4-meth…

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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)	1.22	4.26	-8.86	4	4	0	72	287.388	1	↓ MOL2 SDF SMILES Flexibase

40337499

Analogs

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Popular Name: (3,5-diaminophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3,5-diaminophenyl)-[(4R)-4-meth…

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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)	0.81	3.9	-9.79	4	4	0	72	287.388	1	↓ MOL2 SDF SMILES Flexibase

40337501

Analogs

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Popular Name: (3,5-diaminophenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3,5-diaminophenyl)-[(4S)-4-meth…

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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)	0.81	4.02	-9.82	4	4	0	72	287.388	1	↓ MOL2 SDF SMILES Flexibase

40337503

Analogs

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Popular Name: (3-amino-4,5-dichloro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4,5-dichloro-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)	3.43	7.08	-6.61	2	3	0	46	341.263	1	↓ MOL2 SDF SMILES Flexibase

40337505

Analogs

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Popular Name: (3-amino-4,5-dichloro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (3-amino-4,5-dichloro-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)	3.43	7.21	-6.5	2	3	0	46	341.263	1	↓ MOL2 SDF SMILES Flexibase

40337511

Analogs

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Popular Name: (5-amino-2,4-difluoro-phenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2,4-difluoro-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)	2.40	6.19	-11.34	2	3	0	46	308.353	1	↓ MOL2 SDF SMILES Flexibase

40337513

Analogs

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Popular Name: (5-amino-2,4-difluoro-phenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (5-amino-2,4-difluoro-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)	2.40	6.33	-10.52	2	3	0	46	308.353	1	↓ MOL2 SDF SMILES Flexibase

12212383

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone [4-(difluoromethoxy)-3-methoxy-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)	2.37	1.22	-10.99	0	4	0	39	339.363	4	↓ MOL2 SDF SMILES Flexibase

12213728

Analogs

21627653

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Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (3-chloro-4,5-dimethoxy-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)	2.62	0.28	-8.3	0	4	0	39	337.828	3	↓ MOL2 SDF SMILES Flexibase

12213927

Analogs

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Popular Name: (2-hydroxy-4-methoxy-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-hydroxy-4-methoxy-phenyl)-(9-…

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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)	2.69	-1.81	-12.13	1	4	0	50	289.356	2	↓ MOL2 SDF SMILES Flexibase

12214191

Analogs

22285446
37009614

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Popular Name: (3,5-difluorophenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (3,5-difluorophenyl)-(9-thia-4-a…

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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)	2.43	1.31	-7.05	0	2	0	20	279.311	1	↓ MOL2 SDF SMILES Flexibase

12214230

Analogs

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Popular Name: (2-bromo-5-methoxy-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-bromo-5-methoxy-phenyl)-(9-th…

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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)	2.96	-0.85	-9.03	0	3	0	30	352.253	2	↓ MOL2 SDF SMILES Flexibase

12214905

Analogs

22597415

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Popular Name: (4-ethoxy-3-methoxy-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (4-ethoxy-3-methoxy-phenyl)-(9-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)	2.19	0.24	-11.51	0	4	0	39	317.41	4	↓ MOL2 SDF SMILES Flexibase

12214915

Analogs

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Popular Name: (4-dimethylamino-3-nitro-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (4-dimethylamino-3-nitro-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)	2.16	0.48	-15.86	0	6	0	69	331.397	3	↓ MOL2 SDF SMILES Flexibase

12214924

Analogs

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Popular Name: (4-methylamino-3-nitro-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (4-methylamino-3-nitro-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)	1.92	-1.02	-16.17	1	6	0	78	317.37	3	↓ MOL2 SDF SMILES Flexibase

12215020

Analogs

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Popular Name: (2-methyl-5-methylsulfonyl-phenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-methyl-5-methylsulfonyl-pheny…

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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)	1.42	-3.48	-13.43	0	4	0	54	335.45	2	↓ MOL2 SDF SMILES Flexibase

12215238

Analogs

26051663

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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)	2.60	1.49	-9.56	0	7	0	92	360.391	5	↓ MOL2 SDF SMILES Flexibase

12215294

Analogs

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Popular Name: [4-(methylsulfonylmethyl)phenyl]-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone [4-(methylsulfonylmethyl)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)	1.54	-3.82	-20.59	0	4	0	54	335.45	3	↓ MOL2 SDF SMILES Flexibase

12215378

Analogs

45622565

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Popular Name: (2-bromophenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-bromophenyl)-(9-thia-4-azabic…

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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	-0.87	-10.07	0	2	0	20	322.227	1	↓ MOL2 SDF SMILES Flexibase

12215380

Analogs

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Popular Name: (2-chlorophenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (2-chlorophenyl)-(9-thia-4-azabi…

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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)	2.80	8.18	-10.39	0	2	0	20	277.776	1	↓ MOL2 SDF SMILES Flexibase

12215451

Analogs

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Popular Name: (4-chlorophenyl)-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone (4-chlorophenyl)-(9-thia-4-azabi…

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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)	2.85	-0.32	-7.87	0	2	0	20	277.776	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 18753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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