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ZINC Item

Suppliers, Protomers, & Similar Substances

8009969

Analogs

21805655

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-(4-methyl-3-sulfamoyl-phenyl)-acetamide 2-cyclopentyl-N-(4-methyl-3-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)	2.24	-5.51	-14.05	3	5	0	89	296.392	4	↓ MOL2 SDF SMILES Flexibase

40234805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(N-ethyl-3-methyl-anilino)-…

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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)	2.49	11.14	-60.79	0	4	-1	60	288.367	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.49	8.73	-15.47	1	4	0	58	289.375	5	↓ MOL2 SDF SMILES Flexibase

19431973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamothioylphenyl)-2-cyclopentylacetamide N-(4-carbamothioylphenyl)-2-cycl…

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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)	2.97	6.01	-23.83	3	3	0	55	262.378	4	↓ MOL2 SDF SMILES Flexibase

19433697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamothioylphenyl)-2-cyclopentyl-acetamide N-(3-carbamothioylphenyl)-2-cycl…

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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	6.04	-25.36	3	3	0	55	262.378	4	↓ MOL2 SDF SMILES Flexibase

19436345

Analogs

22146939

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2,6-dimethyl-phenyl)-2-cyclopentyl-acetamide N-(3-amino-2,6-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)	2.47	6.52	-11.28	3	3	0	55	246.354	3	↓ MOL2 SDF SMILES Flexibase

19439610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[3-(N-hydroxy-C-methyl-carbonimidoyl)phenyl]acetamide 2-cyclopentyl-N-[3-(N-hydroxy-C-…

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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	5.13	-17.24	2	4	0	62	260.337	4	↓ MOL2 SDF SMILES Flexibase

53459465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.72	5.46	-26.31	2	7	0	96	381.498	6	↓ MOL2 SDF SMILES Flexibase

53459467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.72	4.54	-19.96	2	7	0	96	381.498	6	↓ MOL2 SDF SMILES Flexibase

53459550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-(4-bromo-2-methyl-phenyl)-2-cyclopentyl-acetamide (2R)-2-acetamido-N-(4-bromo-2-me…

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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)	3.22	8.07	-15.84	2	4	0	58	353.26	4	↓ MOL2 SDF SMILES Flexibase

53459552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-(4-bromo-2-methyl-phenyl)-2-cyclopentyl-acetamide (2S)-2-acetamido-N-(4-bromo-2-me…

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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)	3.22	7.15	-10.75	2	4	0	58	353.26	4	↓ MOL2 SDF SMILES Flexibase

53460234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R)-2-acetamido-2-cyclopentyl-acetyl]amino]-N,N-diethyl-benzamide 3-[[(2R)-2-acetamido-2-cyclopent…

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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)	1.73	8.4	-29.29	2	6	0	79	359.47	7	↓ MOL2 SDF SMILES Flexibase

53460236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-2-acetamido-2-cyclopentyl-acetyl]amino]-N,N-diethyl-benzamide 3-[[(2S)-2-acetamido-2-cyclopent…

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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)	1.73	7.38	-23.74	2	6	0	79	359.47	7	↓ MOL2 SDF SMILES Flexibase

53460254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.34	3.65	-17.31	2	7	0	96	367.471	6	↓ MOL2 SDF SMILES Flexibase

53460256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.34	4.6	-22.78	2	7	0	96	367.471	6	↓ MOL2 SDF SMILES Flexibase

53460267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentyl-2-[4-(isopropylsulfamoyl)anilino]-2-oxo-ethyl]acetamide N-[(1R)-1-cyclopentyl-2-[4-(isop…

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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)	1.77	3.11	-14.24	3	7	0	104	381.498	7	↓ MOL2 SDF SMILES Flexibase

53460269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentyl-2-[4-(isopropylsulfamoyl)anilino]-2-oxo-ethyl]acetamide N-[(1S)-1-cyclopentyl-2-[4-(isop…

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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)	1.77	3.42	-18.25	3	7	0	104	381.498	7	↓ MOL2 SDF SMILES Flexibase

53460312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentyl-2-[4-[isopropyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl]acetamide N-[(1R)-1-cyclopentyl-2-[4-[isop…

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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)	2.02	4.84	-13.77	2	7	0	96	395.525	7	↓ MOL2 SDF SMILES Flexibase

53460314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentyl-2-[4-[isopropyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl]acetamide N-[(1S)-1-cyclopentyl-2-[4-[isop…

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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)	2.02	5.14	-18.37	2	7	0	96	395.525	7	↓ MOL2 SDF SMILES Flexibase

53461271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-(3,4,5-trimethoxyphenyl)acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.66	4.84	-16.64	2	7	0	86	350.415	7	↓ MOL2 SDF SMILES Flexibase

53461273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-(3,4,5-trimethoxyphenyl)acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.66	4.51	-12.67	2	7	0	86	350.415	7	↓ MOL2 SDF SMILES Flexibase

53461532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-(4-chloro-2,5-dimethoxy-phenyl)-2-cyclopentyl-acetamide (2S)-2-acetamido-N-(4-chloro-2,5…

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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)	2.68	4.9	-11.72	2	6	0	77	354.834	6	↓ MOL2 SDF SMILES Flexibase

53461533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-(4-chloro-2,5-dimethoxy-phenyl)-2-cyclopentyl-acetamide (2R)-2-acetamido-N-(4-chloro-2,5…

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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)	2.68	5.85	-15.18	2	6	0	77	354.834	6	↓ MOL2 SDF SMILES Flexibase

53462211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.46	3.58	-17.04	2	6	0	92	374.409	6	↓ MOL2 SDF SMILES Flexibase

53462213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.46	4.53	-21.9	2	6	0	92	374.409	6	↓ MOL2 SDF SMILES Flexibase

53462458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-(5-chloro-2,4-dimethoxy-phenyl)-2-cyclopentyl-acetamide (2S)-2-acetamido-N-(5-chloro-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)	2.68	4.9	-14.07	2	6	0	77	354.834	6	↓ MOL2 SDF SMILES Flexibase

53462460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-(5-chloro-2,4-dimethoxy-phenyl)-2-cyclopentyl-acetamide (2R)-2-acetamido-N-(5-chloro-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)	2.68	5.87	-18.44	2	6	0	77	354.834	6	↓ MOL2 SDF SMILES Flexibase

53462482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentyl-2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]acetamide N-[(1R)-1-cyclopentyl-2-[4-(diet…

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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	5.16	-13.75	2	7	0	96	395.525	8	↓ MOL2 SDF SMILES Flexibase

53462484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentyl-2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl]acetamide N-[(1S)-1-cyclopentyl-2-[4-(diet…

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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	5.47	-18.4	2	7	0	96	395.525	8	↓ MOL2 SDF SMILES Flexibase

53463286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-(3,4-dipropoxyphenyl)acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.44	9.27	-18.4	2	6	0	77	376.497	10	↓ MOL2 SDF SMILES Flexibase

53463289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-(3,4-dipropoxyphenyl)acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.44	8.29	-13.9	2	6	0	77	376.497	10	↓ MOL2 SDF SMILES Flexibase

53464454

Analogs

26062029

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopentyl-acetamide (2S)-2-acetamido-N-[3-(tert-buty…

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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)	2.26	3.73	-16.38	3	7	0	104	395.525	7	↓ MOL2 SDF SMILES Flexibase

53464456

Analogs

26062029

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopentyl-acetamide (2R)-2-acetamido-N-[3-(tert-buty…

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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)	2.26	3.4	-14.1	3	7	0	104	395.525	7	↓ MOL2 SDF SMILES Flexibase

53465225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-(2-methyl-5-methylsulfonyl-phenyl)acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.28	3.85	-18.02	2	6	0	92	352.456	5	↓ MOL2 SDF SMILES Flexibase

53465227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-(2-methyl-5-methylsulfonyl-phenyl)acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.28	4.2	-23.53	2	6	0	92	352.456	5	↓ MOL2 SDF SMILES Flexibase

53472416

Analogs

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Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	2.10	5.97	-25.75	2	7	0	96	395.525	6	↓ MOL2 SDF SMILES Flexibase

53472417

Analogs

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Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[5-(dimethylsulfamoyl)-2,3-dimethyl-phenyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	2.10	5.05	-20.22	2	7	0	96	395.525	6	↓ MOL2 SDF SMILES Flexibase

53472589

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)	1.09	4.89	-17.47	3	8	0	114	375.425	8	↓ MOL2 SDF SMILES Flexibase

53472590

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)	1.09	5.86	-22.58	3	8	0	114	375.425	8	↓ MOL2 SDF SMILES Flexibase

36137048

Analogs

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Popular Name: 1-[2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(4-bromo-2,6-dimethyl-anili…

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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)	2.74	10.38	-57.1	1	4	-1	69	353.236	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.74	7.43	-13.51	2	4	0	66	354.244	4	↓ MOL2 SDF SMILES Flexibase

36157404

Analogs

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Popular Name: 1-[2-(2-cyano-3-fluoro-anilino)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(2-cyano-3-fluoro-anilino)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	8.27	-54.66	1	5	-1	93	289.286	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.94	5.78	-13.37	2	5	0	90	290.294	4	↓ MOL2 SDF SMILES Flexibase

13009402

Analogs

37044203
37044206
37099306
37099354
37099359

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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)	3.72	8.31	-10.29	1	4	0	55	275.348	5	↓ MOL2 SDF SMILES Flexibase

13252468

Analogs

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Popular Name: 1-[2-[[4-(acetylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[[4-(acetylsulfamoyl)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)	1.07	2.62	-116.61	1	8	-2	139	366.395	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.07	0.11	-66.22	2	8	-1	136	367.403	6	↓ MOL2 SDF SMILES Flexibase

13252479

Analogs

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Popular Name: 1-[2-[(2,4-difluorophenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(2,4-difluorophenyl)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)	2.37	6.54	-55.61	1	4	-1	69	282.266	4	↓ MOL2 SDF SMILES Flexibase

13252490

Analogs

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Popular Name: 1-[2-[(2,5-difluorophenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(2,5-difluorophenyl)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)	2.37	6.54	-61.75	1	4	-1	69	282.266	4	↓ MOL2 SDF SMILES Flexibase

13252504

Analogs

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Popular Name: 1-[2-[(3-acetylphenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(3-acetylphenyl)amino]-2-o…

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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)	1.99	7.13	-71.9	1	5	-1	86	288.323	5	↓ MOL2 SDF SMILES Flexibase

13252516

Analogs

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Popular Name: 1-[2-[(4-bromo-2-fluoro-phenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(4-bromo-2-fluoro-phenyl)a…

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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	7.1	-55.6	1	4	-1	69	343.172	4	↓ MOL2 SDF SMILES Flexibase

13252530

Analogs

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Popular Name: 1-[2-[(4-bromo-3-methyl-phenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(4-bromo-3-methyl-phenyl)a…

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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)	3.30	7.67	-59.62	1	4	-1	69	339.209	4	↓ MOL2 SDF SMILES Flexibase

13252552

Analogs

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Popular Name: 1-[2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(2-chloro-4-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)	2.89	7.04	-55.63	1	4	-1	69	298.721	4	↓ MOL2 SDF SMILES Flexibase

13252570

Analogs

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Popular Name: 1-[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(3,4-difluorophenyl)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)	2.37	6.6	-57.2	1	4	-1	69	282.266	4	↓ MOL2 SDF SMILES Flexibase

13252588

Analogs

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Popular Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxo-ethyl]cyclopentane-1-carboxylic 1-[2-[(3,4-dimethoxyphenyl)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)	1.76	5.67	-62.6	1	6	-1	88	306.338	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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