ZINC 12

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ZINC Item

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45853029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(4-hydroxyphenyl)methyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2S)-N-[(4-hydroxyphenyl)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	3.81	-13.67	3	6	0	95	390.505	8	↓ MOL2 SDF SMILES Flexibase

45853030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4-hydroxyphenyl)methyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2R)-N-[(4-hydroxyphenyl)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	3.54	-17.29	3	6	0	95	390.505	8	↓ MOL2 SDF SMILES Flexibase

17972189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(methyl-(p-tolylsulfonyl)amino)-N-[(4-methylsulfanylphenyl)methyl]acetamide N-methyl-2-(methyl-(p-tolylsulfo…

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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)	2.88	8.77	-18.51	0	5	0	58	392.546	7	↓ MOL2 SDF SMILES Flexibase

17972214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-(p-tolylsulfonylamino)butanamide (2S)-N,3-dimethyl-N-[(4-methylsu…

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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	8.72	-13.52	1	5	0	66	420.6	8	↓ MOL2 SDF SMILES Flexibase

17972216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide (2S)-2-[(4-chlorophenyl)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)	3.98	8.63	-12.36	1	5	0	66	441.018	8	↓ MOL2 SDF SMILES Flexibase

17972695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide (2S)-2-[(4-methoxyphenyl)sulfony…

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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)	2.58	5.83	-16.93	1	6	0	76	408.545	8	↓ MOL2 SDF SMILES Flexibase

17972726

Analogs

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Popular Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (2S)-2-[(4-acetamidophenyl)sulfo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	5.35	-19.37	2	7	0	96	457.474	8	↓ MOL2 SDF SMILES Flexibase

36112443

Analogs

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Popular Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (2S)-2-[(2-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)	3.61	6.38	-15.31	2	5	0	75	432.439	8	↓ MOL2 SDF SMILES Flexibase

22357319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-ethyl-amino]-N-[(4-chlorophenyl)methyl]acetamide 2-[(5-bromo-2-methoxy-phenyl)sul…

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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	6.88	-14.13	1	6	0	76	475.792	8	↓ MOL2 SDF SMILES Flexibase

12854377

Analogs

12854383

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1R)-1-(4-chlorophenyl)-2-methyl-propyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.14	7.84	-15.24	1	6	0	84	436.961	8	↓ MOL2 SDF SMILES Flexibase

12854383

Analogs

12854377

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1S)-1-(4-chlorophenyl)-2-methyl-propyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.14	7.94	-15.5	1	6	0	84	436.961	8	↓ MOL2 SDF SMILES Flexibase

36753680

Analogs

25055002
25054994

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	2.91	5.52	-16.82	1	5	0	66	352.843	6	↓ MOL2 SDF SMILES Flexibase

13011220

Analogs

13011222
25534982
25534987

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyanophenyl)sulfonyl-methyl-amino]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide 2-[(2-cyanophenyl)sulfonyl-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)	2.20	8.34	-17.2	0	9	0	127	416.459	7	↓ MOL2 SDF SMILES Flexibase

13011222

Analogs

25534982
25534987
13011220

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyanophenyl)sulfonyl-methyl-amino]-N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]acetamide 2-[(2-cyanophenyl)sulfonyl-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)	2.20	9.25	-15.8	0	9	0	127	416.459	7	↓ MOL2 SDF SMILES Flexibase

13012599

Analogs

31090476

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Popular Name: 2-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetami 2-[(3,4-dimethylphenyl)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)	3.75	8.29	-11.28	0	6	0	67	444.475	8	↓ MOL2 SDF SMILES Flexibase

13012845

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]-N-methyl-acetamide N-[(2,4-difluorophenyl)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)	3.08	8.37	-15.73	0	5	0	58	396.459	6	↓ MOL2 SDF SMILES Flexibase

36866402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-2-(p-tolylsulfonylamino)propanamide (2S)-N-[(1S)-1-(2-methoxy-5-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)	3.28	5.26	-15.33	2	6	0	85	390.505	7	↓ MOL2 SDF SMILES Flexibase

36866403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2-methoxy-5-methyl-phenyl)ethyl]-2-(p-tolylsulfonylamino)propanamide (2S)-N-[(1R)-1-(2-methoxy-5-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)	3.28	5.26	-15.32	2	6	0	85	390.505	7	↓ MOL2 SDF SMILES Flexibase

22739075

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-[(4-chlorophenyl)methyl]acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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)	4.26	7.47	-12.07	1	5	0	66	413.326	8	↓ MOL2 SDF SMILES Flexibase

22739103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-[(4-fluorophenyl)methyl]acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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)	3.74	7.02	-12.68	1	5	0	66	396.871	8	↓ MOL2 SDF SMILES Flexibase

22739142

Analogs

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Popular Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-amino]-N-benzyl-N-tert-butyl-acetamide 2-[allyl-(4-methoxyphenyl)sulfon…

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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)	3.89	8.98	-16.71	0	6	0	67	430.57	10	↓ MOL2 SDF SMILES Flexibase

22745262

Analogs

25063518
21637718
16640657
21939689

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-2-[(2-fluorophenyl)sulfonylamino]-N-propyl-propanamide (2S)-N-benzyl-2-[(2-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)	3.08	7.26	-15.76	1	5	0	66	378.469	8	↓ MOL2 SDF SMILES Flexibase

22760627

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.00	7.33	-18.96	1	6	0	84	443.352	7	↓ MOL2 SDF SMILES Flexibase

22760631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.00	7.34	-19.35	1	6	0	84	443.352	7	↓ MOL2 SDF SMILES Flexibase

22760764

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	3.37	6.89	-18.15	1	6	0	84	408.907	7	↓ MOL2 SDF SMILES Flexibase

22760767

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	3.37	6.9	-16.48	1	6	0	84	408.907	7	↓ MOL2 SDF SMILES Flexibase

22761341

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-benzyl-N-sec-butyl-acetamide 2-[(4-acetylphenyl)sulfonyl-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)	3.11	9.67	-14.84	0	6	0	75	416.543	9	↓ MOL2 SDF SMILES Flexibase

22761345

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-benzyl-N-sec-butyl-acetamide 2-[(4-acetylphenyl)sulfonyl-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)	3.11	10.06	-15.06	0	6	0	75	416.543	9	↓ MOL2 SDF SMILES Flexibase

22761398

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1R)-1-phenylbutyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	2.87	7.75	-16.34	1	6	0	84	402.516	9	↓ MOL2 SDF SMILES Flexibase

22761402

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1S)-1-phenylbutyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	2.87	8.3	-18.24	1	6	0	84	402.516	9	↓ MOL2 SDF SMILES Flexibase

22761726

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.77	9.33	-15.93	1	6	0	84	444.597	10	↓ MOL2 SDF SMILES Flexibase

22761729

Analogs

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Popular Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1R)-2-methyl-1-(4-propylphenyl)propyl]acetamide 2-[(4-acetylphenyl)sulfonyl-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)	4.77	9.87	-16.48	1	6	0	84	444.597	10	↓ MOL2 SDF SMILES Flexibase

13279378

Analogs

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Popular Name: 4-[[[2-[(3,4-diethoxyphenyl)sulfonylamino]acetyl]amino]methyl]benzoic 4-[[[2-[(3,4-diethoxyphenyl)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)	2.32	3.68	-60.64	2	9	-1	134	435.478	11	↓ MOL2 SDF SMILES Flexibase

23030609

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)	2.88	6.27	-22.2	1	7	0	93	390.461	8	↓ MOL2 SDF SMILES Flexibase

23923258

Analogs

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Popular Name: (2S)-2-(benzenesulfonamido)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-3-methyl-butanamide (2S)-2-(benzenesulfonamido)-N-[[…

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	4.87	-17.24	2	7	0	94	442.484	10	↓ MOL2 SDF SMILES Flexibase

68866757

Analogs

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Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-ethoxyphenyl)methyl]-N-methyl-propanamide (2R)-2-[(4-chlorophenyl)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)	3.20	6.12	-16.19	1	6	0	76	410.923	8	↓ MOL2 SDF SMILES Flexibase

68866881

Analogs

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Popular Name: (2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methyl-propanamide (2S)-N-[(2-bromophenyl)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)	3.52	7.16	-13.8	1	5	0	66	445.766	6	↓ MOL2 SDF SMILES Flexibase

68866883

Analogs

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Popular Name: (2R)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methyl-propanamide (2R)-N-[(2-bromophenyl)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)	3.52	6.24	-11.52	1	5	0	66	445.766	6	↓ MOL2 SDF SMILES Flexibase

68867867

Analogs

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Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-ethylphenyl)methyl]-N-methyl-propanamide (2R)-2-[(4-chlorophenyl)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)	3.68	7.34	-15.23	1	5	0	66	394.924	7	↓ MOL2 SDF SMILES Flexibase

68867872

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Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-ethylphenyl)methyl]-N-methyl-propanamide (2S)-2-[(4-chlorophenyl)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)	3.68	7.47	-13.21	1	5	0	66	394.924	7	↓ MOL2 SDF SMILES Flexibase

68869046

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Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-(o-tolylmethyl)propanamide (2R)-2-[(4-chlorophenyl)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)	3.16	6.95	-15.28	1	5	0	66	380.897	6	↓ MOL2 SDF SMILES Flexibase

68869050

Analogs

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Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-(o-tolylmethyl)propanamide (2S)-2-[(4-chlorophenyl)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)	3.16	7.22	-13.41	1	5	0	66	380.897	6	↓ MOL2 SDF SMILES Flexibase

68869710

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Popular Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-propanamide (2S)-2-[(4-chlorophenyl)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)	3.38	5.55	-15.5	1	6	0	76	432.876	8	↓ MOL2 SDF SMILES Flexibase

68869715

Analogs

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Popular Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-propanamide (2R)-2-[(4-chlorophenyl)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)	3.38	5.55	-15.97	1	6	0	76	432.876	8	↓ MOL2 SDF SMILES Flexibase

56826246

Analogs

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Popular Name: (2S)-2-(benzenesulfonamido)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-propanamide (2S)-2-(benzenesulfonamido)-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)	2.23	4.83	-15.76	1	6	0	76	380.441	7	↓ MOL2 SDF SMILES Flexibase

56826247

Analogs

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Popular Name: (2R)-2-(benzenesulfonamido)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-propanamide (2R)-2-(benzenesulfonamido)-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)	2.23	4.83	-16.27	1	6	0	76	380.441	7	↓ MOL2 SDF SMILES Flexibase

58004959

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)	2.66	9.54	-21.4	0	7	0	84	442.896	9	↓ MOL2 SDF SMILES Flexibase

60323080

Analogs

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Popular Name: N-allyl-2-[benzenesulfonyl(methyl)amino]-N-[(5-bromo-2-fluoro-phenyl)methyl]acetamide N-allyl-2-[benzenesulfonyl(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)	3.55	9.08	-16.32	0	5	0	58	455.349	8	↓ MOL2 SDF SMILES Flexibase

14016278

Analogs

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Popular Name: (2R)-N-[(4-sulfamoylphenyl)methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (2R)-N-[(4-sulfamoylphenyl)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)	2.11	1.33	-19.84	4	8	0	135	453.586	7	↓ MOL2 SDF SMILES Flexibase

14016281

Analogs

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Popular Name: (2S)-N-[(4-sulfamoylphenyl)methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (2S)-N-[(4-sulfamoylphenyl)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)	2.11	1.33	-19.21	4	8	0	135	453.586	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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