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ZINC Item

Suppliers, Protomers, & Similar Substances

10511141

Analogs

10511643

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-acetamide 2-(4-methoxyphenyl)sulfonyl-N-(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)	2.10	-4.03	-22.09	1	5	0	72	351.449	6	↓ MOL2 SDF SMILES Flexibase

10511643

Analogs

10511141

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfonylphenyl)-acetamide 2-(4-methoxyphenyl)sulfonyl-N-(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)	0.54	-7.29	-29.77	1	7	0	106	383.447	6	↓ MOL2 SDF SMILES Flexibase

10511971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)-acetamide 2-(4-methoxyphenyl)sulfonyl-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)	2.05	-3.76	-19.38	1	5	0	72	351.449	6	↓ MOL2 SDF SMILES Flexibase

10512444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)-acetamide 2-(4-methoxyphenyl)sulfonyl-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)	0.93	-6.46	-23.51	1	7	0	106	383.447	6	↓ MOL2 SDF SMILES Flexibase

53359275

Analogs

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Popular Name: (2R)-2-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenyl-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)	3.27	7.75	-17.42	0	4	0	54	351.855	5	↓ MOL2 SDF SMILES Flexibase

53359278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenyl-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)	3.27	7.87	-18.52	0	4	0	54	351.855	5	↓ MOL2 SDF SMILES Flexibase

53359280

Analogs

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Popular Name: (2R)-2-(benzenesulfonyl)-N-ethyl-N-phenyl-propanamide (2R)-2-(benzenesulfonyl)-N-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)	2.59	7.23	-18.74	0	4	0	54	317.41	5	↓ MOL2 SDF SMILES Flexibase

53359281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzenesulfonyl)-N-ethyl-N-phenyl-propanamide (2S)-2-(benzenesulfonyl)-N-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)	2.59	7.35	-20.12	0	4	0	54	317.41	5	↓ MOL2 SDF SMILES Flexibase

57914838

Analogs

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Popular Name: 3-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-N-ethyl-benzamide 3-[[2-(4-chlorophenyl)sulfonylac…

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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	3.84	-31.04	2	6	0	92	380.853	6	↓ MOL2 SDF SMILES Flexibase

58305072

Analogs

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Popular Name: N-(5-acetamido-2-fluoro-phenyl)-2-(4-bromophenyl)sulfonyl-2-methyl-propanamide N-(5-acetamido-2-fluoro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	4.96	-19.83	2	6	0	92	457.321	5	↓ MOL2 SDF SMILES Flexibase

58305320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)-2-methyl-propanamide 2-(4-bromophenyl)sulfonyl-N-(2,4…

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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)	3.27	4.64	-17.58	1	6	0	82	442.331	6	↓ MOL2 SDF SMILES Flexibase

58310985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-N,N,4-trimethyl-benzamide 3-[[2-(4-chlorophenyl)sulfonylac…

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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)	1.63	5.46	-30.67	1	6	0	84	394.88	5	↓ MOL2 SDF SMILES Flexibase

58315632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)sulfonyl-N-(4,5-dimethoxy-2-methyl-phenyl)-2-methyl-propanamide 2-(4-bromophenyl)sulfonyl-N-(4,5…

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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)	3.25	6.05	-22.2	1	6	0	82	456.358	6	↓ MOL2 SDF SMILES Flexibase

59211421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-2-(p-tolylsulfonyl)acetamide N-(4-dimethylaminophenyl)-2-(p-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)	2.16	5.31	-21.24	1	5	0	66	332.425	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.16	6.06	-83.68	2	5	0	68	333.433	5	↓ MOL2 SDF SMILES Flexibase

59211422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl butyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	8.05	-21.93	1	6	0	90	389.473	9	↓ MOL2 SDF SMILES Flexibase

59211423

Analogs

8318140

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-(p-tolylsulfonyl)acetamide N-(4-isopropylphenyl)-2-(p-tolyl…

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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	6.81	-19.85	1	4	0	63	331.437	5	↓ MOL2 SDF SMILES Flexibase

59211424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-(p-tolylsulfonyl)acetamide N-(5-fluoro-2-methyl-phenyl)-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)	2.60	5.81	-22.74	1	4	0	63	321.373	4	↓ MOL2 SDF SMILES Flexibase

59211425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-(p-tolylsulfonyl)acetamide N-(2,4-dichlorophenyl)-2-(p-toly…

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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)	3.34	6.03	-16.39	1	4	0	63	358.246	4	↓ MOL2 SDF SMILES Flexibase

59211426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-5-nitro-phenyl)-2-(p-tolylsulfonyl)acetamide N-(2-methyl-5-nitro-phenyl)-2-(p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	6.43	-28.77	1	7	0	109	348.38	5	↓ MOL2 SDF SMILES Flexibase

61295368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(benzenesulfonyl)acetyl]amino]-N-ethyl-benzamide 3-[[2-(benzenesulfonyl)acetyl]am…

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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)	1.16	3.32	-32.39	2	6	0	92	346.408	6	↓ MOL2 SDF SMILES Flexibase

61295576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-N-methyl-benzamide 4-[[2-(4-chlorophenyl)sulfonylac…

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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)	1.48	3.01	-23.62	2	6	0	92	366.826	5	↓ MOL2 SDF SMILES Flexibase

61303878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-propanamide (2S)-N-(3-chlorophenyl)-2-(2,5-d…

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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	6.68	-22.22	1	4	0	63	351.855	4	↓ MOL2 SDF SMILES Flexibase

61303879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-dimethylphenyl)sulfonyl-N-(4-ethylphenyl)propanamide (2S)-2-(2,5-dimethylphenyl)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)	4.15	7.56	-19.75	1	4	0	63	345.464	5	↓ MOL2 SDF SMILES Flexibase

61303909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(5-chloro-2-fluoro-phenyl)-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)	3.64	6.23	-18.8	1	4	0	63	355.818	4	↓ MOL2 SDF SMILES Flexibase

61303917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)acetamide 2-(2,5-dimethylphenyl)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)	3.02	5.66	-23.58	1	4	0	63	321.373	4	↓ MOL2 SDF SMILES Flexibase

61303924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamidophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3-acetamidophenyl)-2-(2,5-dim…

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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)	2.07	4.49	-26.03	2	6	0	92	360.435	5	↓ MOL2 SDF SMILES Flexibase

61303926

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(4-chloro-2-methyl-phenyl)-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)	3.93	6.98	-20.26	1	4	0	63	351.855	4	↓ MOL2 SDF SMILES Flexibase

61303928

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2,5-difluorophenyl)-2-(2,5-di…

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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)	3.13	5.77	-19.55	1	4	0	63	339.363	4	↓ MOL2 SDF SMILES Flexibase

61303956

Analogs

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-[4-(difluoromethoxy)phenyl]-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)	3.49	5.17	-24.65	1	5	0	72	369.389	6	↓ MOL2 SDF SMILES Flexibase

61303984

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2-chloro-4,6-dimethyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	7.65	-21.49	1	4	0	63	365.882	4	↓ MOL2 SDF SMILES Flexibase

61304058

Analogs

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Popular Name: (2S)-N-(4-chlorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-propanamide (2S)-N-(4-chlorophenyl)-2-(2,5-d…

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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)	3.92	6.68	-19.95	1	4	0	63	351.855	4	↓ MOL2 SDF SMILES Flexibase

61304065

Analogs

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Popular Name: N-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(4-bromophenyl)-2-(2,5-dimethy…

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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	6.22	-20.31	1	4	0	63	382.279	4	↓ MOL2 SDF SMILES Flexibase

61304067

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-isopropyl-N-phenyl-acetamide 2-(2,5-dimethylphenyl)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)	3.79	8.61	-20.38	0	4	0	54	345.464	5	↓ MOL2 SDF SMILES Flexibase

61304069

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide 2-(2,5-dimethylphenyl)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)	3.75	6.61	-23.92	1	4	0	63	371.38	5	↓ MOL2 SDF SMILES Flexibase

61304079

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3-chloro-2-methyl-phenyl)-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)	3.91	6.9	-19.1	1	4	0	63	351.855	4	↓ MOL2 SDF SMILES Flexibase

61304083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3,4-dimethylphenyl)-2-(2,5-di…

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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	6.82	-20.77	1	4	0	63	331.437	4	↓ MOL2 SDF SMILES Flexibase

61304093

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)acetamide 2-(2,5-dimethylphenyl)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)	2.91	4.89	-24.25	1	5	0	72	333.409	5	↓ MOL2 SDF SMILES Flexibase

61304109

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(4-bromo-2-methyl-phenyl)-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)	4.06	7.08	-20.25	1	4	0	63	396.306	4	↓ MOL2 SDF SMILES Flexibase

61304148

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(4-chloro-2-methoxy-5-methyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	6.11	-18.66	1	5	0	72	381.881	5	↓ MOL2 SDF SMILES Flexibase

61304153

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3,4-difluorophenyl)-2-(2,5-di…

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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)	3.13	5.71	-24.74	1	4	0	63	339.363	4	↓ MOL2 SDF SMILES Flexibase

61304154

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Popular Name: N-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2,4-difluorophenyl)-2-(2,5-di…

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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)	3.13	5.77	-17.24	1	4	0	63	339.363	4	↓ MOL2 SDF SMILES Flexibase

61304172

Analogs

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Popular Name: N-(3-cyanophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3-cyanophenyl)-2-(2,5-dimethy…

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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)	2.61	5.99	-26.26	1	5	0	87	328.393	4	↓ MOL2 SDF SMILES Flexibase

61304213

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(3-chlorophenyl)-2-(2,5-dimeth…

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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)	3.53	6.11	-22.38	1	4	0	63	337.828	4	↓ MOL2 SDF SMILES Flexibase

61304220

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyphenyl)acetamide 2-(2,5-dimethylphenyl)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)	2.88	5	-19.68	1	5	0	72	333.409	5	↓ MOL2 SDF SMILES Flexibase

61304237

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2,3-dichlorophenyl)-2-(2,5-di…

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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)	4.13	6.68	-17.11	1	4	0	63	372.273	4	↓ MOL2 SDF SMILES Flexibase

61304242

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(4-chlorophenyl)-2-(2,5-dimeth…

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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	6.11	-20.35	1	4	0	63	337.828	4	↓ MOL2 SDF SMILES Flexibase

61304254

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2-bromo-4-methyl-phenyl)-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)	4.06	7.02	-17.51	1	4	0	63	396.306	4	↓ MOL2 SDF SMILES Flexibase

61304258

Analogs

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Popular Name: 2-(2,5-dimethylphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]acetamide 2-(2,5-dimethylphenyl)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)	3.72	6.87	-16.89	1	4	0	63	371.38	5	↓ MOL2 SDF SMILES Flexibase

61304275

Analogs

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Popular Name: N-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-(2-bromophenyl)-2-(2,5-dimethy…

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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	6.36	-17.68	1	4	0	63	382.279	4	↓ MOL2 SDF SMILES Flexibase

52425601

Analogs

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Popular Name: (2R)-2-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)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)	3.48	7.29	-17.71	1	4	0	63	351.855	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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