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ZINC Item

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45853058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide (3R)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.21	3.67	-14.36	2	6	0	87	392.452	5	↓ MOL2 SDF SMILES Flexibase

45853060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide (3S)-1-(4-fluorophenyl)sulfonyl-…

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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)	2.21	3.68	-13.34	2	6	0	87	392.452	5	↓ MOL2 SDF SMILES Flexibase

36107352

Analogs

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Popular Name: (3R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide (3R)-N-[(1R)-1-(3,4-dimethoxyphe…

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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)	2.79	5.79	-18.58	1	8	0	94	462.568	8	↓ MOL2 SDF SMILES Flexibase

36107354

Analogs

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Popular Name: (3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide (3S)-N-[(1R)-1-(3,4-dimethoxyphe…

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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)	2.79	5.81	-17.2	1	8	0	94	462.568	8	↓ MOL2 SDF SMILES Flexibase

36127984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(5-chloro-2-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)	3.91	7.73	-17.81	1	6	0	76	454.951	6	↓ MOL2 SDF SMILES Flexibase

36127987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(5-chloro-2-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)	3.91	7.7	-15.65	1	6	0	76	454.951	6	↓ MOL2 SDF SMILES Flexibase

36127989

Analogs

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Popular Name: (3R)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3R)-1-(5-chloro-2-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)	4.95	9.43	-17.21	1	6	0	76	479.042	6	↓ MOL2 SDF SMILES Flexibase

36127991

Analogs

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Popular Name: (3S)-1-(5-chloro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3S)-1-(5-chloro-2-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)	4.95	9.39	-15.04	1	6	0	76	479.042	6	↓ MOL2 SDF SMILES Flexibase

36127993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(5-fluoro-2-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)	3.40	7.28	-18.57	1	6	0	76	438.496	6	↓ MOL2 SDF SMILES Flexibase

36127995

Analogs

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Popular Name: (3S)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(5-fluoro-2-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)	3.40	7.25	-16.2	1	6	0	76	438.496	6	↓ MOL2 SDF SMILES Flexibase

36127998

Analogs

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Popular Name: (3R)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3R)-1-(5-fluoro-2-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)	4.44	8.97	-17.82	1	6	0	76	462.587	6	↓ MOL2 SDF SMILES Flexibase

36128000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3S)-1-(5-fluoro-2-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)	4.44	8.94	-15.63	1	6	0	76	462.587	6	↓ MOL2 SDF SMILES Flexibase

36128046

Analogs

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Popular Name: (3R)-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3R)-1-(4-methoxyphenyl)sulfonyl…

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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)	4.35	8.36	-14.52	1	6	0	76	444.597	6	↓ MOL2 SDF SMILES Flexibase

36128049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3S)-1-(4-methoxyphenyl)sulfonyl…

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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)	4.35	8.37	-13.32	1	6	0	76	444.597	6	↓ MOL2 SDF SMILES Flexibase

36128051

Analogs

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Popular Name: (3R)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3R)-1-(4-methoxy-3-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)	4.72	9.1	-14.96	1	6	0	76	458.624	6	↓ MOL2 SDF SMILES Flexibase

36128053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3S)-1-(4-methoxy-3-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)	4.72	9.12	-13.76	1	6	0	76	458.624	6	↓ MOL2 SDF SMILES Flexibase

36128056

Analogs

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Popular Name: (3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(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)	3.91	7.22	-16.71	1	6	0	76	454.951	6	↓ MOL2 SDF SMILES Flexibase

36128059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(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)	3.91	7.24	-15.4	1	6	0	76	454.951	6	↓ MOL2 SDF SMILES Flexibase

36128062

Analogs

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Popular Name: (3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3R)-1-(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)	4.95	8.92	-16.01	1	6	0	76	479.042	6	↓ MOL2 SDF SMILES Flexibase

36128064

Analogs

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Popular Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carbo (3S)-1-(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)	4.95	8.93	-14.82	1	6	0	76	479.042	6	↓ MOL2 SDF SMILES Flexibase

36128067

Analogs

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Popular Name: (3R)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(2,5-dimethoxyphenyl)sulf…

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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)	3.29	6.5	-19.81	1	7	0	85	450.532	7	↓ MOL2 SDF SMILES Flexibase

36128069

Analogs

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Popular Name: (3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(2,5-dimethoxyphenyl)sulf…

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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)	3.29	6.46	-17.62	1	7	0	85	450.532	7	↓ MOL2 SDF SMILES Flexibase

36128071

Analogs

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Popular Name: (3R)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3R)-1-(2,5-dimethoxyphenyl)sulf…

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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)	4.33	8.2	-19.12	1	7	0	85	474.623	7	↓ MOL2 SDF SMILES Flexibase

36128073

Analogs

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Popular Name: (3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3S)-1-(2,5-dimethoxyphenyl)sulf…

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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)	4.33	8.16	-17.21	1	7	0	85	474.623	7	↓ MOL2 SDF SMILES Flexibase

36128075

Analogs

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Popular Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3R)-1-(3,4-dimethoxyphenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.57	-17.34	1	7	0	85	450.532	7	↓ MOL2 SDF SMILES Flexibase

36128078

Analogs

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Popular Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (3S)-1-(3,4-dimethoxyphenyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.59	-16.28	1	7	0	85	450.532	7	↓ MOL2 SDF SMILES Flexibase

36128080

Analogs

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Popular Name: (3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3R)-1-(3,4-dimethoxyphenyl)sulf…

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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	8.27	-16.54	1	7	0	85	474.623	7	↓ MOL2 SDF SMILES Flexibase

36128083

Analogs

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Popular Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide (3S)-1-(3,4-dimethoxyphenyl)sulf…

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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	8.28	-15.74	1	7	0	85	474.623	7	↓ MOL2 SDF SMILES Flexibase

53455851

Analogs

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Popular Name: (3R)-N-[(3-fluorophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide (3R)-N-[(3-fluorophenyl)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)	3.12	7.22	-13.26	1	5	0	66	390.48	5	↓ MOL2 SDF SMILES Flexibase

53456691

Analogs

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Popular Name: (3S)-N-[(3-cyanophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide (3S)-N-[(3-cyanophenyl)methyl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	7.51	-17.7	1	6	0	90	397.5	5	↓ MOL2 SDF SMILES Flexibase

53456693

Analogs

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Popular Name: (3R)-N-[(3-cyanophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide (3R)-N-[(3-cyanophenyl)methyl]-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	7.53	-16.08	1	6	0	90	397.5	5	↓ MOL2 SDF SMILES Flexibase

53457164

Analogs

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Popular Name: (3S)-N-[(4-cyanophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide (3S)-N-[(4-cyanophenyl)methyl]-1…

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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)	2.73	7.52	-17.4	1	6	0	90	397.5	5	↓ MOL2 SDF SMILES Flexibase

22690425

Analogs

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Popular Name: (3R)-1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-piperidine-3-carboxamide (3R)-1-(4-bromophenyl)sulfonyl-N…

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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)	3.64	8.3	-14.61	0	6	0	67	481.412	6	↓ MOL2 SDF SMILES Flexibase

22690428

Analogs

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Popular Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methyl-piperidine-3-carboxamide (3S)-1-(4-bromophenyl)sulfonyl-N…

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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)	3.64	8.29	-14.44	0	6	0	67	481.412	6	↓ MOL2 SDF SMILES Flexibase

13256998

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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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	8.22	-49.83	1	7	-1	107	467.926	7	↓ MOL2 SDF SMILES Flexibase

13256999

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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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	8.12	-53.32	1	7	-1	107	467.926	7	↓ MOL2 SDF SMILES Flexibase

13257000

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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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	8.21	-54.63	1	7	-1	107	467.926	7	↓ MOL2 SDF SMILES Flexibase

13257001

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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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	8.08	-50.54	1	7	-1	107	467.926	7	↓ MOL2 SDF SMILES Flexibase

13257346

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoi (3R)-3-(3,4-dimethoxyphenyl)-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)	1.14	6.87	-57.29	1	9	-1	125	493.533	9	↓ MOL2 SDF SMILES Flexibase

13257347

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoi (3S)-3-(3,4-dimethoxyphenyl)-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)	1.14	6.14	-63.59	1	9	-1	125	493.533	9	↓ MOL2 SDF SMILES Flexibase

13257348

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoi (3R)-3-(3,4-dimethoxyphenyl)-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)	1.14	6.07	-63.8	1	9	-1	125	493.533	9	↓ MOL2 SDF SMILES Flexibase

13257349

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoi (3S)-3-(3,4-dimethoxyphenyl)-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)	1.14	6.83	-54.63	1	9	-1	125	493.533	9	↓ MOL2 SDF SMILES Flexibase

13257937

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3R)…

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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)	1.65	7.78	-49.9	1	7	-1	107	451.471	7	↓ MOL2 SDF SMILES Flexibase

13257938

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3R)…

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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)	1.65	7.67	-53.39	1	7	-1	107	451.471	7	↓ MOL2 SDF SMILES Flexibase

13257939

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3S)…

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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)	1.65	7.76	-54.7	1	7	-1	107	451.471	7	↓ MOL2 SDF SMILES Flexibase

13257940

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3S)…

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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)	1.65	7.63	-50.59	1	7	-1	107	451.471	7	↓ MOL2 SDF SMILES Flexibase

13258333

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3R)-1-(4-fluorophenyl)…

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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)	1.94	8.38	-52.53	1	7	-1	107	447.508	7	↓ MOL2 SDF SMILES Flexibase

13258334

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3R)-1-(4-fluorophenyl)…

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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)	1.94	8.28	-55.97	1	7	-1	107	447.508	7	↓ MOL2 SDF SMILES Flexibase

13258335

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3S)-1-(4-fluorophenyl)…

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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)	1.94	8.37	-57.45	1	7	-1	107	447.508	7	↓ MOL2 SDF SMILES Flexibase

13258336

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3S)-1-(4-fluorophenyl)…

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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)	1.94	8.24	-53.26	1	7	-1	107	447.508	7	↓ 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

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 = 17546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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