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ZINC Item

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53305845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethylsulfonyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide 1-ethylsulfonyl-N-[(1S)-1-(5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	4.97	-16.66	1	5	0	66	344.502	5	↓ MOL2 SDF SMILES Flexibase

53305848

Analogs

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Popular Name: 1-ethylsulfonyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide 1-ethylsulfonyl-N-[(1R)-1-(5-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	4.97	-16.39	1	5	0	66	344.502	5	↓ MOL2 SDF SMILES Flexibase

22694340

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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)	3.08	6.85	-12.36	1	5	0	59	364.389	6	↓ MOL2 SDF SMILES Flexibase

22694343

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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)	3.08	6.84	-12.09	1	5	0	59	364.389	6	↓ MOL2 SDF SMILES Flexibase

62839748

Analogs

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Popular Name: 4-methyl-N-(2-thienylmethyl)piperidine-4-carboxamide 4-methyl-N-(2-thienylmethyl)pipe…

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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)	1.50	4.01	-40.13	3	3	1	46	239.364	3	↓ MOL2 SDF SMILES Flexibase

62839823

Analogs

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Popular Name: N,4-dimethyl-N-(2-thienylmethyl)piperidine-4-carboxamide N,4-dimethyl-N-(2-thienylmethyl)…

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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)	1.41	5.57	-43.23	2	3	1	37	253.391	3	↓ MOL2 SDF SMILES Flexibase

62839832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(2-thienyl)et…

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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	4.83	-38.74	3	3	1	46	253.391	3	↓ MOL2 SDF SMILES Flexibase

62839833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(2-thienyl)et…

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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	4.83	-39.88	3	3	1	46	253.391	3	↓ MOL2 SDF SMILES Flexibase

62840137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	2.86	5.45	-39.19	3	3	1	46	287.836	3	↓ MOL2 SDF SMILES Flexibase

62840138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	2.86	5.45	-40.24	3	3	1	46	287.836	3	↓ MOL2 SDF SMILES Flexibase

62840230

Analogs

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Popular Name: 4-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-2-methyl-1-(2-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)	2.80	5.93	-38.07	3	3	1	46	281.445	4	↓ MOL2 SDF SMILES Flexibase

62840231

Analogs

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Popular Name: 4-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-2-methyl-1-(2-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)	2.80	5.68	-40.97	3	3	1	46	281.445	4	↓ MOL2 SDF SMILES Flexibase

62840245

Analogs

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Popular Name: methyl 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)	1.50	5.88	-43.2	3	5	1	72	311.427	6	↓ MOL2 SDF SMILES Flexibase

62840246

Analogs

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Popular Name: methyl 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)	1.50	5.88	-39.73	3	5	1	72	311.427	6	↓ MOL2 SDF SMILES Flexibase

62840304

Analogs

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Popular Name: (3S)-3-[(4-methylpiperidine-4-carbonyl)amino]-3-(2-thienyl)propanoic (3S)-3-[(4-methylpiperidine-4-ca…

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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)	1.20	5.71	-68.08	3	5	0	86	296.392	5	↓ MOL2 SDF SMILES Flexibase

62840305

Analogs

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Popular Name: (3R)-3-[(4-methylpiperidine-4-carbonyl)amino]-3-(2-thienyl)propanoic (3R)-3-[(4-methylpiperidine-4-ca…

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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)	1.20	5.81	-52.25	3	5	0	86	296.392	5	↓ MOL2 SDF SMILES Flexibase

62840494

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-4-methyl-piperidine-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	2.59	7.01	-38.43	2	3	1	37	301.863	4	↓ MOL2 SDF SMILES Flexibase

62840495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N,4-dimethyl-piperidine-4-carboxamide N-[(5-chloro-2-thienyl)methyl]-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)	2.21	6.2	-44.14	2	3	1	37	287.836	3	↓ MOL2 SDF SMILES Flexibase

62840496

Analogs

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Popular Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-methyl-piperidine-4-carboxamide N-allyl-N-[(5-chloro-2-thienyl)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)	2.86	7.44	-42.88	2	3	1	37	313.874	5	↓ MOL2 SDF SMILES Flexibase

62840503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-4-methyl-piperidine-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-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)	2.72	7.12	-38.45	2	3	1	37	346.314	4	↓ MOL2 SDF SMILES Flexibase

62840538

Analogs

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Popular Name: N-(2-methoxyethyl)-4-methyl-N-(2-thienylmethyl)piperidine-4-carboxamide N-(2-methoxyethyl)-4-methyl-N-(2…

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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)	1.40	5.5	-44.18	2	4	1	46	297.444	6	↓ MOL2 SDF SMILES Flexibase

62840569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide N,4-dimethyl-N-[(3-methyl-2-thie…

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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	6.12	-37.94	2	3	1	37	267.418	3	↓ MOL2 SDF SMILES Flexibase

62840571

Analogs

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Popular Name: N-ethyl-4-methyl-N-(2-thienylmethyl)piperidine-4-carboxamide N-ethyl-4-methyl-N-(2-thienylmet…

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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	6.39	-38.35	2	3	1	37	267.418	4	↓ MOL2 SDF SMILES Flexibase

62840689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-N,4-dimethyl-piperidine-4-carboxamide N-[(4-bromo-2-thienyl)methyl]-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)	2.15	6.18	-42.89	2	3	1	37	332.287	3	↓ MOL2 SDF SMILES Flexibase

62840782

Analogs

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Popular Name: N,4-dimethyl-N-[(1S)-1-(2-thienyl)ethyl]piperidine-4-carboxamide N,4-dimethyl-N-[(1S)-1-(2-thieny…

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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)	1.97	5.7	-44.3	2	3	1	37	267.418	3	↓ MOL2 SDF SMILES Flexibase

62840783

Analogs

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Popular Name: N,4-dimethyl-N-[(1R)-1-(2-thienyl)ethyl]piperidine-4-carboxamide N,4-dimethyl-N-[(1R)-1-(2-thieny…

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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)	1.97	5.7	-40.44	2	3	1	37	267.418	3	↓ MOL2 SDF SMILES Flexibase

62840791

Analogs

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Popular Name: N,4-dimethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide N,4-dimethyl-N-[(1R)-1-(5-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)	2.19	6.54	-40.43	2	3	1	37	281.445	3	↓ MOL2 SDF SMILES Flexibase

62840792

Analogs

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Popular Name: N,4-dimethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide N,4-dimethyl-N-[(1S)-1-(5-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)	2.19	6.53	-44.52	2	3	1	37	281.445	3	↓ MOL2 SDF SMILES Flexibase

62840874

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-4-methyl-piperidine-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-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)	2.43	4.74	-41.16	3	3	1	46	318.26	3	↓ MOL2 SDF SMILES Flexibase

62841265

Analogs

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Popular Name: N-isopropyl-4-methyl-N-(2-thienylmethyl)piperidine-4-carboxamide N-isopropyl-4-methyl-N-(2-thieny…

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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)	2.09	6.68	-42.23	2	3	1	37	281.445	4	↓ MOL2 SDF SMILES Flexibase

62841285

Analogs

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Popular Name: 4-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(5-methyl-2-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)	2.28	5.66	-39.93	3	3	1	46	267.418	3	↓ MOL2 SDF SMILES Flexibase

62841286

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(5-methyl-2-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)	2.28	5.66	-38.73	3	3	1	46	267.418	3	↓ MOL2 SDF SMILES Flexibase

62841296

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(2-thienyl)pr…

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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)	2.56	5.44	-38.12	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62841297

Analogs

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Popular Name: 4-methyl-N-[(1R)-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(2-thienyl)pr…

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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)	2.56	5.3	-39.8	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62841298

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-(2-thienyl)butyl]piperidine-4-carboxamide 4-methyl-N-[(1S)-1-(2-thienyl)bu…

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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	6.53	-39.39	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62841299

Analogs

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Popular Name: 4-methyl-N-[(1R)-1-(2-thienyl)butyl]piperidine-4-carboxamide 4-methyl-N-[(1R)-1-(2-thienyl)bu…

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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	6.53	-41.81	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62841428

Analogs

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Popular Name: 4-methyl-N-[(5-methyl-2-thienyl)methyl]piperidine-4-carboxamide 4-methyl-N-[(5-methyl-2-thienyl)…

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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)	1.72	4.84	-40.19	3	3	1	46	253.391	3	↓ MOL2 SDF SMILES Flexibase

62848037

Analogs

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Popular Name: 4-ethyl-N-(2-thienylmethyl)piperidine-4-carboxamide 4-ethyl-N-(2-thienylmethyl)piper…

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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	4.43	-40.54	3	3	1	46	253.391	4	↓ MOL2 SDF SMILES Flexibase

62848038

Analogs

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Popular Name: 4-propyl-N-(2-thienylmethyl)piperidine-4-carboxamide 4-propyl-N-(2-thienylmethyl)pipe…

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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)	2.39	5.25	-41.92	3	3	1	46	267.418	5	↓ MOL2 SDF SMILES Flexibase

62848203

Analogs

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Popular Name: 4-ethyl-N-[(1S)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-1-(2-thienyl)eth…

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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)	2.39	5.29	-39.87	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62848204

Analogs

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Popular Name: 4-ethyl-N-[(1R)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-1-(2-thienyl)eth…

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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)	2.39	5.31	-41.49	3	3	1	46	267.418	4	↓ MOL2 SDF SMILES Flexibase

62848205

Analogs

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Popular Name: 4-propyl-N-[(1S)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1S)-1-(2-thienyl)et…

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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	6.06	-40.12	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62848206

Analogs

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Popular Name: 4-propyl-N-[(1R)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 4-propyl-N-[(1R)-1-(2-thienyl)et…

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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	6.01	-40.25	3	3	1	46	281.445	5	↓ MOL2 SDF SMILES Flexibase

62848596

Analogs

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-4-ethyl-piperidine-4-carboxamide N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	3.19	5.92	-40.44	3	3	1	46	301.863	4	↓ MOL2 SDF SMILES Flexibase

62848597

Analogs

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-4-ethyl-piperidine-4-carboxamide N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	3.19	5.94	-41.77	3	3	1	46	301.863	4	↓ MOL2 SDF SMILES Flexibase

62848598

Analogs

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	3.75	6.68	-40.68	3	3	1	46	315.89	5	↓ MOL2 SDF SMILES Flexibase

62848599

Analogs

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	3.75	6.64	-40.59	3	3	1	46	315.89	5	↓ MOL2 SDF SMILES Flexibase

62848680

Analogs

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Popular Name: 4-ethyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-2-methyl-1-(2-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)	3.14	6.25	-38.27	3	3	1	46	295.472	5	↓ MOL2 SDF SMILES Flexibase

62848681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-2-methyl-1-(2-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)	3.14	6.42	-38.57	3	3	1	46	295.472	5	↓ MOL2 SDF SMILES Flexibase

62848682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-2-methyl-1-(2-thienyl)pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	7.1	-39.58	3	3	1	46	309.499	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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