ZINC 12

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)	1.80	4.58	-57.78	4	4	1	60	268.768	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.80	4.16	-7.71	3	4	0	58	267.76	5	↓ MOL2 SDF SMILES Flexibase

52857107

Analogs

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Popular Name: 2-(4-chloro-2-cyano-anilino)-N-cyclopropyl-acetamide 2-(4-chloro-2-cyano-anilino)-N-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)	2.13	4.38	-13.65	2	4	0	65	249.701	4	↓ MOL2 SDF SMILES Flexibase

52858341

Analogs

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Popular Name: 2-(2-carbamothioyl-4-chloro-anilino)-N-cyclopropyl-acetamide 2-(2-carbamothioyl-4-chloro-anil…

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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)	2.17	3.24	-17.84	4	4	0	67	283.784	5	↓ MOL2 SDF SMILES Flexibase

52858932

Analogs

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Popular Name: 2-(2-carbamothioyl-4-chloro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-carbamothioyl-4-chloro-N-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)	2.42	5.88	-9.88	3	4	0	58	297.811	5	↓ MOL2 SDF SMILES Flexibase

52859737

Analogs

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Popular Name: 2-(4-chloro-2-cyano-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(4-chloro-2-cyano-N-methyl-ani…

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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	6.96	-6.87	1	4	0	56	263.728	4	↓ MOL2 SDF SMILES Flexibase

52905098

Analogs

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Popular Name: 2-(2-carbamothioyl-3-chloro-anilino)-N-cyclopropyl-acetamide 2-(2-carbamothioyl-3-chloro-anil…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	3.14	-19	4	4	0	67	283.784	5	↓ MOL2 SDF SMILES Flexibase

52907189

Analogs

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Popular Name: 2-(2-carbamothioyl-3-chloro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-carbamothioyl-3-chloro-N-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)	2.39	5.62	-11.13	3	4	0	58	297.811	5	↓ MOL2 SDF SMILES Flexibase

36131340

Analogs

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Popular Name: 2-(4-amino-N,2-dimethyl-anilino)-N-cyclopropyl-acetamide 2-(4-amino-N,2-dimethyl-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)	1.47	4.72	-9.16	3	4	0	58	233.315	4	↓ MOL2 SDF SMILES Flexibase

36131341

Analogs

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Popular Name: 2-(3-amino-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(3-amino-N-methyl-anilino)-N-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)	1.07	3.26	-10.55	3	4	0	58	219.288	4	↓ MOL2 SDF SMILES Flexibase

36131343

Analogs

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Popular Name: 2-(2-amino-6-chloro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-6-chloro-N-methyl-ani…

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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)	2.08	4.85	-8.8	3	4	0	58	253.733	4	↓ MOL2 SDF SMILES Flexibase

36131345

Analogs

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Popular Name: 2-(4-amino-N,3-dimethyl-anilino)-N-cyclopropyl-acetamide 2-(4-amino-N,3-dimethyl-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)	1.87	4.03	-10.4	3	4	0	58	233.315	4	↓ MOL2 SDF SMILES Flexibase

36131347

Analogs

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Popular Name: 2-(2-amino-N-methyl-4-methylsulfonyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-N-methyl-4-methylsulf…

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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)	0.29	1.68	-16.8	3	6	0	93	297.38	5	↓ MOL2 SDF SMILES Flexibase

36131351

Analogs

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Popular Name: 2-[2-amino-N-methyl-4-(methylsulfamoyl)anilino]-N-cyclopropyl-acetamide 2-[2-amino-N-methyl-4-(methylsul…

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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)	0.49	0.32	-14.87	4	7	0	105	312.395	6	↓ MOL2 SDF SMILES Flexibase

36131357

Analogs

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Popular Name: 3-amino-4-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]benzamide 3-amino-4-[[2-(cyclopropylamino)…

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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)	0.24	0.94	-12.77	5	6	0	101	262.313	5	↓ MOL2 SDF SMILES Flexibase

36131373

Analogs

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Popular Name: 2-(2-amino-4-bromo-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-4-bromo-N-methyl-anil…

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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	4.76	-8.49	3	4	0	58	298.184	4	↓ MOL2 SDF SMILES Flexibase

36131375

Analogs

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Popular Name: 2-(2-amino-N,4-dimethyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-N,4-dimethyl-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)	1.87	4.81	-9.16	3	4	0	58	233.315	4	↓ MOL2 SDF SMILES Flexibase

36131381

Analogs

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Popular Name: 2-[4-amino-N-methyl-3-(trifluoromethyl)anilino]-N-cyclopropyl-acetamide 2-[4-amino-N-methyl-3-(trifluoro…

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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	4.41	-10.87	3	4	0	58	287.285	5	↓ MOL2 SDF SMILES Flexibase

36131385

Analogs

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Popular Name: 2-(2-amino-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-N-methyl-anilino)-N-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)	1.45	4.13	-9.13	3	4	0	58	219.288	4	↓ MOL2 SDF SMILES Flexibase

36131387

Analogs

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Popular Name: 2-[2-amino-N-methyl-4-(trifluoromethyl)anilino]-N-cyclopropyl-acetamide 2-[2-amino-N-methyl-4-(trifluoro…

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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	5.15	-8.93	3	4	0	58	287.285	5	↓ MOL2 SDF SMILES Flexibase

36131389

Analogs

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Popular Name: 2-(4-amino-2-chloro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(4-amino-2-chloro-N-methyl-ani…

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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)	1.70	4.43	-7.9	3	4	0	58	253.733	4	↓ MOL2 SDF SMILES Flexibase

36131391

Analogs

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Popular Name: 2-(2-amino-4-chloro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-4-chloro-N-methyl-ani…

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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	4.65	-8.51	3	4	0	58	253.733	4	↓ MOL2 SDF SMILES Flexibase

36131395

Analogs

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Popular Name: 2-(2-amino-4-fluoro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-4-fluoro-N-methyl-ani…

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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)	1.59	4.2	-9.05	3	4	0	58	237.278	4	↓ MOL2 SDF SMILES Flexibase

36131401

Analogs

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Popular Name: 2-(2-amino-N-methyl-4-sulfamoyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-N-methyl-4-sulfamoyl-…

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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)	0.12	-0.9	-15.74	5	7	0	119	298.368	5	↓ MOL2 SDF SMILES Flexibase

36131407

Analogs

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Popular Name: 2-(2-amino-4-cyano-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(2-amino-4-cyano-N-methyl-anil…

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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)	1.18	4.55	-10.44	3	5	0	82	244.298	4	↓ MOL2 SDF SMILES Flexibase

36131409

Analogs

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Popular Name: 2-(4-amino-2-fluoro-N-methyl-anilino)-N-cyclopropyl-acetamide 2-(4-amino-2-fluoro-N-methyl-ani…

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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)	1.18	3.73	-11.96	3	4	0	58	237.278	4	↓ MOL2 SDF SMILES Flexibase

20236653

Analogs

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Popular Name: N-cyclopropyl-2-(methylsulfonyl-(m-tolyl)amino)acetamide N-cyclopropyl-2-(methylsulfonyl-…

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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	3.44	-21.66	1	5	0	66	282.365	5	↓ MOL2 SDF SMILES Flexibase

20236949

Analogs

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Popular Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-cyclopropyl-acetamide 2-[(3-bromophenyl)-methylsulfony…

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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)	2.17	3.39	-21.1	1	5	0	66	347.234	5	↓ MOL2 SDF SMILES Flexibase

20236970

Analogs

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Popular Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-cyclopropyl-acetamide 2-[(4-bromophenyl)-methylsulfony…

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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	3.67	-23.94	1	5	0	66	347.234	5	↓ MOL2 SDF SMILES Flexibase

20236995

Analogs

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Popular Name: N-cyclopropyl-2-[(3-methoxyphenyl)-methylsulfonyl-amino]acetamide N-cyclopropyl-2-[(3-methoxypheny…

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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)	1.42	2.1	-23.04	1	6	0	76	298.364	6	↓ MOL2 SDF SMILES Flexibase

20237015

Analogs

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Popular Name: N-cyclopropyl-2-[(4-methoxyphenyl)-methylsulfonyl-amino]acetamide N-cyclopropyl-2-[(4-methoxypheny…

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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	2.35	-24.73	1	6	0	76	298.364	6	↓ MOL2 SDF SMILES Flexibase

20237092

Analogs

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Popular Name: N-cyclopropyl-2-[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]acetamide N-cyclopropyl-2-[(2,4-dimethoxyp…

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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)	1.43	2.99	-12.77	1	7	0	85	328.39	7	↓ MOL2 SDF SMILES Flexibase

20237284

Analogs

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Popular Name: N-cyclopropyl-2-[(2-fluorophenyl)-methylsulfonyl-amino]acetamide N-cyclopropyl-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)	1.50	3.01	-13.29	1	5	0	66	286.328	5	↓ MOL2 SDF SMILES Flexibase

20237326

Analogs

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Popular Name: 2-[(5-chloro-2-methoxy-phenyl)-methylsulfonyl-amino]-N-cyclopropyl-acetamide 2-[(5-chloro-2-methoxy-phenyl)-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	3	-22.54	1	6	0	76	332.809	6	↓ MOL2 SDF SMILES Flexibase

20237452

Analogs

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Popular Name: 2-[(3-chloro-2-methyl-phenyl)-methylsulfonyl-amino]-N-cyclopropyl-acetamide 2-[(3-chloro-2-methyl-phenyl)-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)	2.42	4.23	-21.66	1	5	0	66	316.81	5	↓ MOL2 SDF SMILES Flexibase

20237485

Analogs

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Popular Name: 2-[(3-chloro-4-methyl-phenyl)-methylsulfonyl-amino]-N-cyclopropyl-acetamide 2-[(3-chloro-4-methyl-phenyl)-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)	2.44	4.03	-14.19	1	5	0	66	316.81	5	↓ MOL2 SDF SMILES Flexibase

20358708

Analogs

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Popular Name: (2R)-2-(2-cyanoethyl-phenyl-amino)-N-cyclopropyl-propanamide (2R)-2-(2-cyanoethyl-phenyl-amin…

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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)	1.30	7.07	-13.85	1	4	0	56	257.337	6	↓ MOL2 SDF SMILES Flexibase

20358709

Analogs

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Popular Name: (2S)-2-(2-cyanoethyl-phenyl-amino)-N-cyclopropyl-propanamide (2S)-2-(2-cyanoethyl-phenyl-amin…

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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)	1.30	6.9	-14.82	1	4	0	56	257.337	6	↓ MOL2 SDF SMILES Flexibase

20358861

Analogs

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Popular Name: (2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-N-cyclopropyl-propanamide (2R)-2-[[2-chloro-5-(trifluorome…

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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)	3.77	5.81	-8.23	2	3	0	41	306.715	5	↓ MOL2 SDF SMILES Flexibase

20358862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-N-cyclopropyl-propanamide (2S)-2-[[2-chloro-5-(trifluorome…

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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)	3.77	5.84	-8.25	2	3	0	41	306.715	5	↓ MOL2 SDF SMILES Flexibase

20359060

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]amino]propanamide (2R)-N-cyclopropyl-2-[[2-(triflu…

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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	5.43	-11.33	2	3	0	41	272.27	5	↓ MOL2 SDF SMILES Flexibase

20359061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]amino]propanamide (2S)-N-cyclopropyl-2-[[2-(triflu…

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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	5.44	-11.37	2	3	0	41	272.27	5	↓ MOL2 SDF SMILES Flexibase

20359150

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[[4-(trifluoromethoxy)phenyl]amino]propanamide (2R)-N-cyclopropyl-2-[[4-(triflu…

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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)	3.23	4.02	-8.29	2	4	0	50	288.269	6	↓ MOL2 SDF SMILES Flexibase

20359151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[[4-(trifluoromethoxy)phenyl]amino]propanamide (2S)-N-cyclopropyl-2-[[4-(triflu…

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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)	3.23	4.02	-8.31	2	4	0	50	288.269	6	↓ MOL2 SDF SMILES Flexibase

20359260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[(2,3,4-trifluorophenyl)amino]propanamide (2R)-N-cyclopropyl-2-[(2,3,4-tri…

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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	4.44	-13.76	2	3	0	41	258.243	4	↓ MOL2 SDF SMILES Flexibase

20359261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[(2,3,4-trifluorophenyl)amino]propanamide (2S)-N-cyclopropyl-2-[(2,3,4-tri…

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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	4.44	-13.78	2	3	0	41	258.243	4	↓ MOL2 SDF SMILES Flexibase

20359329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-bromo-2-fluoro-phenyl)amino]-N-cyclopropyl-propanamide (2R)-2-[(4-bromo-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)	3.17	4.94	-10.01	2	3	0	41	301.159	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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