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ZINC Item

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44018221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(trifluoromethoxy)phenyl]azepane-1-carboxamide N-[3-(trifluoromethoxy)phenyl]az…

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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)	4.05	7.13	-7.27	1	4	0	42	302.296	3	↓ MOL2 SDF SMILES Flexibase

48452870

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)azepane-1-carboxamide N-(2-bromo-4-fluoro-phenyl)azepa…

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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)	4.00	8.18	-5.68	1	3	0	32	315.186	1	↓ MOL2 SDF SMILES Flexibase

62462521

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)azepane-1-carboxamide N-(2-chloro-4-methoxy-phenyl)aze…

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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	7.27	-7.13	1	4	0	42	282.771	2	↓ MOL2 SDF SMILES Flexibase

56693285

Analogs

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Popular Name: N-(5-acetamido-2-chloro-phenyl)azepane-1-carboxamide N-(5-acetamido-2-chloro-phenyl)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)	2.93	6.91	-11.42	2	5	0	61	309.797	2	↓ MOL2 SDF SMILES Flexibase

68856310

Analogs

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Popular Name: (4R)-N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-azepane-1-carboxamide (4R)-N-[4-(difluoromethylsulfany…

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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)	4.10	9.19	-9.54	1	3	0	32	314.401	3	↓ MOL2 SDF SMILES Flexibase

68856317

Analogs

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Popular Name: (4S)-N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-azepane-1-carboxamide (4S)-N-[4-(difluoromethylsulfany…

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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)	4.10	9.17	-9.4	1	3	0	32	314.401	3	↓ MOL2 SDF SMILES Flexibase

68856379

Analogs

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Popular Name: (4R)-N-(2-bromophenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(2-bromophenyl)-4-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)	3.87	8.68	-6.65	1	3	0	32	311.223	1	↓ MOL2 SDF SMILES Flexibase

68856385

Analogs

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Popular Name: (4S)-N-(2-bromophenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(2-bromophenyl)-4-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)	3.87	8.65	-6.45	1	3	0	32	311.223	1	↓ MOL2 SDF SMILES Flexibase

68856456

Analogs

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Popular Name: (4S)-N-(3,4-dimethylphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3,4-dimethylphenyl)-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)	3.94	9.2	-9.15	1	3	0	32	260.381	1	↓ MOL2 SDF SMILES Flexibase

68856462

Analogs

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Popular Name: (4R)-N-(3,4-dimethylphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3,4-dimethylphenyl)-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)	3.94	9.19	-9.04	1	3	0	32	260.381	1	↓ MOL2 SDF SMILES Flexibase

68856696

Analogs

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Popular Name: (4S)-N-(4-chloro-2-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(4-chloro-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)	4.16	9.36	-8.1	1	3	0	32	280.799	1	↓ MOL2 SDF SMILES Flexibase

68856699

Analogs

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Popular Name: (4R)-N-(4-chloro-2-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(4-chloro-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)	4.16	9.33	-8.28	1	3	0	32	280.799	1	↓ MOL2 SDF SMILES Flexibase

68856943

Analogs

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Popular Name: (4R)-N-(3-acetylphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3-acetylphenyl)-4-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)	2.98	8.3	-11.56	1	4	0	49	274.364	2	↓ MOL2 SDF SMILES Flexibase

68856947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-acetylphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3-acetylphenyl)-4-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)	2.98	8.29	-11.1	1	4	0	49	274.364	2	↓ MOL2 SDF SMILES Flexibase

68856982

Analogs

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Popular Name: (4R)-N-(2-chloro-4-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(2-chloro-4-fluoro-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)	3.88	8.62	-5.44	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68856985

Analogs

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Popular Name: (4S)-N-(2-chloro-4-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(2-chloro-4-fluoro-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)	3.88	8.59	-5.21	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68857013

Analogs

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Popular Name: (4R)-N-(3,4-difluorophenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3,4-difluorophenyl)-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)	3.37	8.01	-7.92	1	3	0	32	268.307	1	↓ MOL2 SDF SMILES Flexibase

68857018

Analogs

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Popular Name: (4S)-N-(3,4-difluorophenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3,4-difluorophenyl)-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)	3.37	8	-7.72	1	3	0	32	268.307	1	↓ MOL2 SDF SMILES Flexibase

68857035

Analogs

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Popular Name: (4R)-N-(3,4-dimethoxyphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3,4-dimethoxyphenyl)-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)	2.76	7.09	-11.43	1	5	0	51	292.379	3	↓ MOL2 SDF SMILES Flexibase

68857041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3,4-dimethoxyphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3,4-dimethoxyphenyl)-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)	2.76	7.08	-11.24	1	5	0	51	292.379	3	↓ MOL2 SDF SMILES Flexibase

68857073

Analogs

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Popular Name: (4S)-N-(3,5-dimethylphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3,5-dimethylphenyl)-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)	3.94	9.31	-9.06	1	3	0	32	260.381	1	↓ MOL2 SDF SMILES Flexibase

68857075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(3,5-dimethylphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3,5-dimethylphenyl)-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)	3.94	9.29	-8.98	1	3	0	32	260.381	1	↓ MOL2 SDF SMILES Flexibase

68857083

Analogs

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Popular Name: (4R)-N-(4-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(4-chloro-2-fluoro-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)	3.88	8.56	-5.42	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68857085

Analogs

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Popular Name: (4S)-N-(4-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(4-chloro-2-fluoro-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)	3.88	8.52	-5.1	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68857117

Analogs

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Popular Name: (4S)-N-(4-ethylphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(4-ethylphenyl)-4-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)	4.02	9.41	-8.85	1	3	0	32	260.381	2	↓ MOL2 SDF SMILES Flexibase

68857120

Analogs

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Popular Name: (4R)-N-(4-ethylphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(4-ethylphenyl)-4-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)	4.02	9.41	-8.76	1	3	0	32	260.381	2	↓ MOL2 SDF SMILES Flexibase

68857167

Analogs

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Popular Name: (4S)-N-(3-fluoro-4-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3-fluoro-4-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)	3.65	8.67	-11.51	1	3	0	32	264.344	1	↓ MOL2 SDF SMILES Flexibase

68857171

Analogs

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Popular Name: (4R)-N-(3-fluoro-4-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3-fluoro-4-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)	3.65	8.67	-11.51	1	3	0	32	264.344	1	↓ MOL2 SDF SMILES Flexibase

68857331

Analogs

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Popular Name: (4R)-N-(4-chloro-3-nitro-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(4-chloro-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)	3.67	8.99	-9	1	6	0	78	311.769	2	↓ MOL2 SDF SMILES Flexibase

68857337

Analogs

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Popular Name: (4S)-N-(4-chloro-3-nitro-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(4-chloro-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)	3.67	8.97	-8.64	1	6	0	78	311.769	2	↓ MOL2 SDF SMILES Flexibase

68857349

Analogs

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Popular Name: (4R)-N-(3-chloro-4-methoxy-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3-chloro-4-methoxy-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)	3.77	7.74	-8.72	1	4	0	42	296.798	2	↓ MOL2 SDF SMILES Flexibase

68857355

Analogs

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Popular Name: (4S)-N-(3-chloro-4-methoxy-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3-chloro-4-methoxy-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)	3.77	7.73	-8.49	1	4	0	42	296.798	2	↓ MOL2 SDF SMILES Flexibase

68857397

Analogs

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Popular Name: (4S)-N-(2,6-diethylphenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(2,6-diethylphenyl)-4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	10.85	-8.4	1	3	0	32	288.435	3	↓ MOL2 SDF SMILES Flexibase

68857402

Analogs

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Popular Name: (4R)-N-(2,6-diethylphenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(2,6-diethylphenyl)-4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	10.83	-8.4	1	3	0	32	288.435	3	↓ MOL2 SDF SMILES Flexibase

68857486

Analogs

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Popular Name: (4S)-N-(5-chloro-2-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(5-chloro-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)	4.16	9.07	-9.52	1	3	0	32	280.799	1	↓ MOL2 SDF SMILES Flexibase

68857492

Analogs

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Popular Name: (4R)-N-(5-chloro-2-methyl-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(5-chloro-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)	4.16	9.33	-9.98	1	3	0	32	280.799	1	↓ MOL2 SDF SMILES Flexibase

68857565

Analogs

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Popular Name: (4R)-N-[2-(difluoromethoxy)phenyl]-4-methyl-azepane-1-carboxamide (4R)-N-[2-(difluoromethoxy)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)	3.68	7.64	-9.81	1	4	0	42	298.333	3	↓ MOL2 SDF SMILES Flexibase

68857570

Analogs

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Popular Name: (4S)-N-[2-(difluoromethoxy)phenyl]-4-methyl-azepane-1-carboxamide (4S)-N-[2-(difluoromethoxy)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)	3.68	7.6	-9.69	1	4	0	42	298.333	3	↓ MOL2 SDF SMILES Flexibase

68857695

Analogs

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Popular Name: (4R)-N-(3-chloro-4-cyano-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3-chloro-4-cyano-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)	3.47	8.7	-9.37	1	4	0	56	291.782	1	↓ MOL2 SDF SMILES Flexibase

68857703

Analogs

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Popular Name: (4S)-N-(3-chloro-4-cyano-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3-chloro-4-cyano-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)	3.47	8.68	-9.15	1	4	0	56	291.782	1	↓ MOL2 SDF SMILES Flexibase

68857770

Analogs

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Popular Name: (4R)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(5-chloro-2,4-dimethoxy-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)	3.76	7.21	-10.67	1	5	0	51	326.824	3	↓ MOL2 SDF SMILES Flexibase

68857776

Analogs

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Popular Name: (4S)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(5-chloro-2,4-dimethoxy-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)	3.76	7.18	-10.58	1	5	0	51	326.824	3	↓ MOL2 SDF SMILES Flexibase

68857887

Analogs

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Popular Name: (4R)-N-(3-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(3-chloro-2-fluoro-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)	3.86	8.54	-6.28	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68857894

Analogs

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Popular Name: (4S)-N-(3-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(3-chloro-2-fluoro-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)	3.86	8.51	-5.97	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68858050

Analogs

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Popular Name: (4R)-N-(5-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4R)-N-(5-chloro-2-fluoro-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)	3.88	8.55	-7.06	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68858056

Analogs

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Popular Name: (4S)-N-(5-chloro-2-fluoro-phenyl)-4-methyl-azepane-1-carboxamide (4S)-N-(5-chloro-2-fluoro-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)	3.88	8.52	-6.79	1	3	0	32	284.762	1	↓ MOL2 SDF SMILES Flexibase

68858353

Analogs

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Popular Name: (4R)-4-methyl-N-[4-(methylcarbamoyl)phenyl]azepane-1-carboxamide (4R)-4-methyl-N-[4-(methylcarbam…

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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)	2.30	6.16	-16.49	2	5	0	61	289.379	2	↓ MOL2 SDF SMILES Flexibase

68858358

Analogs

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Popular Name: (4S)-4-methyl-N-[4-(methylcarbamoyl)phenyl]azepane-1-carboxamide (4S)-4-methyl-N-[4-(methylcarbam…

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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)	2.30	6.16	-16.56	2	5	0	61	289.379	2	↓ MOL2 SDF SMILES Flexibase

68858840

Analogs

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Popular Name: (4R)-4-methyl-N-(4-methylsulfanylphenyl)azepane-1-carboxamide (4R)-4-methyl-N-(4-methylsulfany…

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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)	3.54	8.91	-9.77	1	3	0	32	278.421	2	↓ MOL2 SDF SMILES Flexibase

68858845

Analogs

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Popular Name: (4S)-4-methyl-N-(4-methylsulfanylphenyl)azepane-1-carboxamide (4S)-4-methyl-N-(4-methylsulfany…

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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)	3.54	8.9	-9.74	1	3	0	32	278.421	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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