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ZINC Item

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6729325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-methyl-N-[1-[(4-methyl-1-piperidyl)carbonyl]ethyl]benzenesulfonamide 4-methoxy-3-methyl-N-[1-[(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)	2.27	-4.27	-13.64	1	6	0	75	354.472	5	↓ MOL2 SDF SMILES Flexibase

6729328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-methyl-N-[1-[(4-methyl-1-piperidyl)carbonyl]ethyl]benzenesulfonamide 4-methoxy-3-methyl-N-[1-[(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)	2.27	-4.26	-13.95	1	6	0	75	354.472	5	↓ MOL2 SDF SMILES Flexibase

36112658

Analogs

28019736
28019740
28019744

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-3-methyl-butyl]-4-methyl-benzenesulfonamide N-[(1S)-1-[(3S,5S)-3,5-dimethylp…

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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)	4.07	7.89	-11.97	1	5	0	66	380.554	6	↓ MOL2 SDF SMILES Flexibase

36112661

Analogs

28019736
28019740
28019744

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-3-methyl-butyl]-4-methyl-benzenesulfonamide N-[(1R)-1-[(3S,5S)-3,5-dimethylp…

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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)	4.07	7.94	-16.55	1	5	0	66	380.554	6	↓ MOL2 SDF SMILES Flexibase

36754495

Analogs

36754497
36754499
24961564
24961568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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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)	2.23	6.29	-11.17	0	5	0	58	324.446	4	↓ MOL2 SDF SMILES Flexibase

36754497

Analogs

36754499
36754495
24961564
24961568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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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)	2.23	6.53	-11.26	0	5	0	58	324.446	4	↓ MOL2 SDF SMILES Flexibase

36754499

Analogs

36754495
36754497
24961564
24961568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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)	2.23	6.53	-10.97	0	5	0	58	324.446	4	↓ MOL2 SDF SMILES Flexibase

68852222

Analogs

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Popular Name: 4-chloro-N-[(1R)-2-[(2R)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1R)-2-[(2R)-2-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)	3.14	5.17	-12.36	1	5	0	66	358.891	5	↓ MOL2 SDF SMILES Flexibase

68852226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-[(2S)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1R)-2-[(2S)-2-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)	3.14	5.15	-11.96	1	5	0	66	358.891	5	↓ MOL2 SDF SMILES Flexibase

68852228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-[(2R)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1S)-2-[(2R)-2-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)	3.14	5.26	-10.96	1	5	0	66	358.891	5	↓ MOL2 SDF SMILES Flexibase

68852233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-[(2S)-2-ethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1S)-2-[(2S)-2-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)	3.14	5.27	-10.89	1	5	0	66	358.891	5	↓ MOL2 SDF SMILES Flexibase

58004065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[1-[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoyl]-4-piperidyl]acetamide N-methyl-N-[1-[(2S)-4-methyl-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)	2.23	6.35	-17.89	1	7	0	87	423.579	7	↓ MOL2 SDF SMILES Flexibase

58004067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[1-[(2R)-4-methyl-2-(p-tolylsulfonylamino)pentanoyl]-4-piperidyl]acetamide N-methyl-N-[1-[(2R)-4-methyl-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)	2.23	6.38	-21.74	1	7	0	87	423.579	7	↓ MOL2 SDF SMILES Flexibase

58341964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1R)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3,4-difluoro-N-[(1R)-1-methyl-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)	2.18	4.24	-14.07	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1R)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3,4-difluoro-N-[(1R)-1-methyl-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)	2.18	4.23	-13.88	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3,4-difluoro-N-[(1S)-1-methyl-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)	2.18	4.23	-13.34	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1S)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3,4-difluoro-N-[(1S)-1-methyl-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)	2.18	4.19	-13.33	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1R)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2,4-difluoro-N-[(1R)-1-methyl-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)	2.18	3.86	-11.14	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1R)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2,4-difluoro-N-[(1R)-1-methyl-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)	2.18	3.85	-10.78	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2,4-difluoro-N-[(1S)-1-methyl-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)	2.18	4.2	-12.95	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

58341976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1S)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2,4-difluoro-N-[(1S)-1-methyl-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)	2.18	4.17	-13.16	1	5	0	66	346.399	4	↓ MOL2 SDF SMILES Flexibase

52412027

Analogs

41247852

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]benzenesulfonamide 4-ethoxy-N-[(1R)-1-methyl-2-oxo-…

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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)	2.03	3.72	-13.83	1	6	0	76	340.445	6	↓ MOL2 SDF SMILES Flexibase

68883721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1R)-2-[(3S,5R)-3,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	5.2	-12.38	1	5	0	66	358.891	4	↓ MOL2 SDF SMILES Flexibase

68883723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1R)-2-[(3S,5S)-3,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	5.44	-12.62	1	5	0	66	358.891	4	↓ MOL2 SDF SMILES Flexibase

68883725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-[(1R)-2-[(3R,5R)-3,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	5.44	-12.22	1	5	0	66	358.891	4	↓ MOL2 SDF SMILES Flexibase

4890605

Analogs

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Popular Name: 4-methoxy-N-methyl-N-[(4-methyl-1-piperidyl)carbonylmethyl]benzenesulfonamide 4-methoxy-N-methyl-N-[(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)	1.81	-3.13	-12.23	0	6	0	66	340.445	5	↓ MOL2 SDF SMILES Flexibase

68954797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[(1R)-1-(4-methylpiperidine-1-carbonyl)-3-methylsulfanyl-propyl]benzenesulfonamide 2,5-dichloro-N-[(1R)-1-(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)	3.57	6.7	-10.67	1	5	0	66	439.43	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.57	6.95	-44.24	0	5	-1	69	438.422	7	↓ MOL2 SDF SMILES Flexibase

68954800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[(1S)-1-(4-methylpiperidine-1-carbonyl)-3-methylsulfanyl-propyl]benzenesulfonamide 2,5-dichloro-N-[(1S)-1-(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)	3.57	7.11	-15.78	1	5	0	66	439.43	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.57	6.97	-45.14	0	5	-1	69	438.422	7	↓ MOL2 SDF SMILES Flexibase

69099000

Analogs

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Popular Name: 2-fluoro-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2-fluoro-N-[(1S)-1-methyl-2-[(2R…

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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)	2.04	4.13	-14.97	1	5	0	66	328.409	4	↓ MOL2 SDF SMILES Flexibase

69142323

Analogs

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Popular Name: N-[2-[(2R)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide N-[2-[(2R)-2-ethyl-1-piperidyl]-…

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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)	3.00	5.34	-14.88	1	5	0	66	378.416	6	↓ MOL2 SDF SMILES Flexibase

69142324

Analogs

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Popular Name: N-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide N-[2-[(2S)-2-ethyl-1-piperidyl]-…

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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)	3.00	5.36	-14.69	1	5	0	66	378.416	6	↓ MOL2 SDF SMILES Flexibase

69197569

Analogs

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Popular Name: 4-methoxy-N-[(1R)-2-methyl-1-[(3R)-3-methylpiperidine-1-carbonyl]propyl]benzenesulfonamide 4-methoxy-N-[(1R)-2-methyl-1-[(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)	2.67	4.82	-16.27	1	6	0	76	368.499	6	↓ MOL2 SDF SMILES Flexibase

69197571

Analogs

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Popular Name: 4-methoxy-N-[(1R)-2-methyl-1-[(3S)-3-methylpiperidine-1-carbonyl]propyl]benzenesulfonamide 4-methoxy-N-[(1R)-2-methyl-1-[(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)	2.67	4.86	-16.33	1	6	0	76	368.499	6	↓ MOL2 SDF SMILES Flexibase

69197574

Analogs

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Popular Name: 2-fluoro-N-[(1R)-2-methyl-1-[(3R)-3-methylpiperidine-1-carbonyl]propyl]benzenesulfonamide 2-fluoro-N-[(1R)-2-methyl-1-[(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)	2.73	5.05	-11.89	1	5	0	66	356.463	5	↓ MOL2 SDF SMILES Flexibase

69197575

Analogs

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Popular Name: 2-fluoro-N-[(1R)-2-methyl-1-[(3S)-3-methylpiperidine-1-carbonyl]propyl]benzenesulfonamide 2-fluoro-N-[(1R)-2-methyl-1-[(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)	2.73	5.14	-13.53	1	5	0	66	356.463	5	↓ MOL2 SDF SMILES Flexibase

69197577

Analogs

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Popular Name: N-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide N-[2-[(3R)-3-methyl-1-piperidyl]…

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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)	2.38	4.72	-15.8	1	5	0	66	364.389	5	↓ MOL2 SDF SMILES Flexibase

69197578

Analogs

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Popular Name: N-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide N-[2-[(3S)-3-methyl-1-piperidyl]…

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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)	2.38	4.72	-15.91	1	5	0	66	364.389	5	↓ MOL2 SDF SMILES Flexibase

69508502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-4-fluoro-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]benzenesulfonamide 3-cyano-4-fluoro-N-[(1S)-1-methy…

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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)	1.44	4	-17.24	1	6	0	90	339.392	4	↓ MOL2 SDF SMILES Flexibase

69508503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-4-fluoro-N-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]benzenesulfonamide 3-cyano-4-fluoro-N-[(1R)-1-methy…

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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)	1.44	3.94	-18.18	1	6	0	90	339.392	4	↓ MOL2 SDF SMILES Flexibase

65513238

Analogs

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Popular Name: 2-methoxy-N-[(1R)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2-methoxy-N-[(1R)-1-methyl-2-[(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)	1.93	3.9	-16.33	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

65513240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2-methoxy-N-[(1R)-1-methyl-2-[(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)	1.93	3.87	-15.89	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

65513242

Analogs

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Popular Name: 2-methoxy-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2-methoxy-N-[(1S)-1-methyl-2-[(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)	1.93	3.82	-15.17	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

65513244

Analogs

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Popular Name: 2-methoxy-N-[(1S)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 2-methoxy-N-[(1S)-1-methyl-2-[(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)	1.93	3.81	-15.52	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

65531663

Analogs

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-methyl-N-[(1S)-1-methyl-2-[(2S…

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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)	2.35	4.76	-11.97	1	5	0	66	324.446	4	↓ MOL2 SDF SMILES Flexibase

65531666

Analogs

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Popular Name: 3-methyl-N-[(1R)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-methyl-N-[(1R)-1-methyl-2-[(2S…

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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)	2.35	4.8	-12.67	1	5	0	66	324.446	4	↓ MOL2 SDF SMILES Flexibase

65531668

Analogs

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-methyl-N-[(1S)-1-methyl-2-[(2R…

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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)	2.35	4.78	-11.89	1	5	0	66	324.446	4	↓ MOL2 SDF SMILES Flexibase

65531672

Analogs

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Popular Name: 3-methyl-N-[(1R)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-methyl-N-[(1R)-1-methyl-2-[(2R…

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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)	2.35	4.79	-12.91	1	5	0	66	324.446	4	↓ MOL2 SDF SMILES Flexibase

65537805

Analogs

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Popular Name: 3-cyano-N-[(1R)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-cyano-N-[(1R)-1-methyl-2-[(2R)…

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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)	1.66	4.51	-17.53	1	6	0	90	335.429	4	↓ MOL2 SDF SMILES Flexibase

65537808

Analogs

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Popular Name: 3-cyano-N-[(1R)-1-methyl-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-cyano-N-[(1R)-1-methyl-2-[(2S)…

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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)	1.66	4.5	-17.27	1	6	0	90	335.429	4	↓ MOL2 SDF SMILES Flexibase

65537811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(1S)-1-methyl-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]benzenesulfonamide 3-cyano-N-[(1S)-1-methyl-2-[(2R)…

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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)	1.66	4.5	-16.34	1	6	0	90	335.429	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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