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)	2.35	8.73	-77.84	4	6	0	67	376.545	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.35	8.37	-39.21	3	6	1	66	375.537	10	↓ MOL2 SDF SMILES Flexibase

62155907

Analogs

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Popular Name: N-[3-(methoxymethyl)phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[3-(methoxymethyl)phenyl]-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)	1.13	5.62	-40.41	3	6	1	72	334.44	9	↓ MOL2 SDF SMILES Flexibase

62155937

Analogs

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Popular Name: N-[4-(cyanomethyl)phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-(cyanomethyl)phenyl]-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)	1.16	7.06	-45.23	3	6	1	86	329.424	8	↓ MOL2 SDF SMILES Flexibase

62581353

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-chloro-4-methoxy-phenyl)-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)	1.86	5.8	-39.78	3	6	1	72	354.858	8	↓ MOL2 SDF SMILES Flexibase

54851999

Analogs

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Popular Name: N-[4-[[(1R)-1-methylpropyl]carbamoyl]phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-[[(1R)-1-methylpropyl]carba…

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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)	1.60	6.78	-44.75	4	7	1	92	389.52	10	↓ MOL2 SDF SMILES Flexibase

54852001

Analogs

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Popular Name: N-[4-[[(1S)-1-methylpropyl]carbamoyl]phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-[[(1S)-1-methylpropyl]carba…

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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)	1.60	6.78	-44.77	4	7	1	92	389.52	10	↓ MOL2 SDF SMILES Flexibase

54852005

Analogs

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Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(5-cyano-2-isopropoxy-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)	1.68	7.32	-41.86	3	7	1	96	373.477	9	↓ MOL2 SDF SMILES Flexibase

66719246

Analogs

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Popular Name: N-[4-(isopropylcarbamoyl)-3-methyl-phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-(isopropylcarbamoyl)-3-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)	1.44	6.52	-44.68	4	7	1	92	389.52	9	↓ MOL2 SDF SMILES Flexibase

65557692

Analogs

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Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-fluoro-3-(trifluoromethyl)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)	2.18	6.94	-40.9	3	5	1	63	376.374	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	6.15	-57.55	2	5	0	69	375.366	8	↓ MOL2 SDF SMILES Flexibase

41784172

Analogs

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Popular Name: N-(3-ethynylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-ethynylphenyl)-N'-(4-pyrrol…

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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)	0.94	7.07	-41.79	3	5	1	63	314.409	7	↓ MOL2 SDF SMILES Flexibase

41784212

Analogs

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Popular Name: N-[4-(propanoylamino)phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[4-(propanoylamino)phenyl]-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)	1.25	5.61	-44.49	4	7	1	92	361.466	9	↓ MOL2 SDF SMILES Flexibase

41784215

Analogs

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Popular Name: N-(4-acetamidophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-acetamidophenyl)-N'-(4-pyrr…

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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)	0.42	4.8	-44.82	4	7	1	92	347.439	8	↓ MOL2 SDF SMILES Flexibase

41784217

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2,5-dimethylphenyl)-N'-(4-pyr…

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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	7.41	-39.42	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41784220

Analogs

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Popular Name: N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-acetylphenyl)-N'-(4-pyrroli…

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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)	1.10	6.38	-43.73	3	6	1	80	332.424	8	↓ MOL2 SDF SMILES Flexibase

41784221

Analogs

41679617

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Popular Name: N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-phenyl-N'-(4-pyrrolidin-1-ylbu…

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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)	1.20	5.88	-39.33	3	5	1	63	290.387	7	↓ MOL2 SDF SMILES Flexibase

41784223

Analogs

45698496

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Popular Name: N-(4-bromophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-bromophenyl)-N'-(4-pyrrolid…

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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)	2.01	6.51	-39.32	3	5	1	63	369.283	7	↓ MOL2 SDF SMILES Flexibase

41784230

Analogs

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Popular Name: N-[3-chloro-2-(dimethylamino)phenyl]-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-[3-chloro-2-(dimethylamino)phe…

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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)	1.88	7.96	-39.14	3	6	1	66	367.901	8	↓ MOL2 SDF SMILES Flexibase

41784232

Analogs

45698519

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Popular Name: N-(3-bromophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-bromophenyl)-N'-(4-pyrrolid…

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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)	1.98	6.51	-39.97	3	5	1	63	369.283	7	↓ MOL2 SDF SMILES Flexibase

41784233

Analogs

41784302

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Popular Name: N-(m-tolyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(m-tolyl)-N'-(4-pyrrolidin-1-y…

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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)	1.62	6.55	-39.28	3	5	1	63	304.414	7	↓ MOL2 SDF SMILES Flexibase

41784234

Analogs

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Popular Name: N-(o-tolyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(o-tolyl)-N'-(4-pyrrolidin-1-y…

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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)	1.60	6.79	-39.26	3	5	1	63	304.414	7	↓ MOL2 SDF SMILES Flexibase

41784238

Analogs

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Popular Name: N-(2-methoxyphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-methoxyphenyl)-N'-(4-pyrrol…

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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)	1.21	5.29	-40.06	3	6	1	72	320.413	8	↓ MOL2 SDF SMILES Flexibase

41784239

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2,3-dimethylphenyl)-N'-(4-pyr…

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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)	2.00	7.3	-39.35	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41784240

Analogs

41784249

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Popular Name: N-(2,4-dimethylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2,4-dimethylphenyl)-N'-(4-pyr…

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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	7.45	-39.22	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41784241

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3,4-dimethylphenyl)-N'-(4-pyr…

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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	7.12	-39.52	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41784243

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-ethoxyphenyl)-N'-(4-pyrroli…

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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	6.11	-40.28	3	6	1	72	334.44	9	↓ MOL2 SDF SMILES Flexibase

41784244

Analogs

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Popular Name: N-(3-nitrophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-nitrophenyl)-N'-(4-pyrrolid…

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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)	1.13	6.59	-42.96	3	8	1	108	335.384	8	↓ MOL2 SDF SMILES Flexibase

41784245

Analogs

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Popular Name: N-(2-chlorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-chlorophenyl)-N'-(4-pyrroli…

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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	6.51	-39.02	3	5	1	63	324.832	7	↓ MOL2 SDF SMILES Flexibase

41784246

Analogs

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Popular Name: N-(4-methyl-3-nitro-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-methyl-3-nitro-phenyl)-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)	1.53	7.23	-45.12	3	8	1	108	349.411	8	↓ MOL2 SDF SMILES Flexibase

41784248

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3,4-dichlorophenyl)-N'-(4-pyr…

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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)	2.48	6.86	-40.47	3	5	1	63	359.277	7	↓ MOL2 SDF SMILES Flexibase

41784249

Analogs

41784240

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Popular Name: N'-(4-pyrrolidin-1-ylbutyl)-N-(2,4,6-trimethylphenyl)oxamide N'-(4-pyrrolidin-1-ylbutyl)-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)	1.46	8.17	-39.17	3	5	1	63	332.468	7	↓ MOL2 SDF SMILES Flexibase

41784252

Analogs

45698481

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Popular Name: N-(4-methoxyphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-methoxyphenyl)-N'-(4-pyrrol…

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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)	1.25	5.17	-40.39	3	6	1	72	320.413	8	↓ MOL2 SDF SMILES Flexibase

41784253

Analogs

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Popular Name: N-(3-chlorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-chlorophenyl)-N'-(4-pyrroli…

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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)	1.85	6.41	-39.95	3	5	1	63	324.832	7	↓ MOL2 SDF SMILES Flexibase

41784254

Analogs

45698499

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Popular Name: N-(3-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-fluorophenyl)-N'-(4-pyrroli…

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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	5.96	-40.73	3	5	1	63	308.377	7	↓ MOL2 SDF SMILES Flexibase

41784256

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-methylsulfanylphenyl)-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)	1.61	6.9	-40.89	3	5	1	63	336.481	8	↓ MOL2 SDF SMILES Flexibase

41784259

Analogs

45698507

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Popular Name: N-(4-chlorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-chlorophenyl)-N'-(4-pyrroli…

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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	6.4	-39.41	3	5	1	63	324.832	7	↓ MOL2 SDF SMILES Flexibase

41784261

Analogs

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Popular Name: N'-(4-pyrrolidin-1-ylbutyl)-N-[2-(trifluoromethyl)phenyl]oxamide N'-(4-pyrrolidin-1-ylbutyl)-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)	2.04	7.13	-39.78	3	5	1	63	358.384	8	↓ MOL2 SDF SMILES Flexibase

41784262

Analogs

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Popular Name: N'-(4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]oxamide N'-(4-pyrrolidin-1-ylbutyl)-N-[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	6.91	-40.9	3	5	1	63	358.384	8	↓ MOL2 SDF SMILES Flexibase

41784264

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(5-chloro-2-methoxy-phenyl)-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)	1.86	5.83	-39.91	3	6	1	72	354.858	8	↓ MOL2 SDF SMILES Flexibase

41784267

Analogs

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Popular Name: N-(2,6-diisopropylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2,6-diisopropylphenyl)-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)	2.24	9.97	-38.62	3	5	1	63	374.549	9	↓ MOL2 SDF SMILES Flexibase

41784268

Analogs

41784283

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Popular Name: N-(4-tert-butylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-tert-butylphenyl)-N'-(4-pyr…

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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)	2.90	8.21	-38.91	3	5	1	63	346.495	8	↓ MOL2 SDF SMILES Flexibase

41784269

Analogs

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Popular Name: N-(3-acetamidophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-acetamidophenyl)-N'-(4-pyrr…

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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)	0.39	4.8	-45.02	4	7	1	92	347.439	8	↓ MOL2 SDF SMILES Flexibase

41784272

Analogs

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Popular Name: N-(2-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-fluorophenyl)-N'-(4-pyrroli…

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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)	1.31	6	-39.57	3	5	1	63	308.377	7	↓ MOL2 SDF SMILES Flexibase

41784273

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(3-chloro-2-methyl-phenyl)-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	7.17	-39.14	3	5	1	63	338.859	7	↓ MOL2 SDF SMILES Flexibase

41784274

Analogs

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Popular Name: N-(2,4-dichlorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2,4-dichlorophenyl)-N'-(4-pyr…

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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)	2.48	7.02	-38.38	3	5	1	63	359.277	7	↓ MOL2 SDF SMILES Flexibase

41784277

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-chloro-4-methyl-phenyl)-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)	2.25	7.17	-38.81	3	5	1	63	338.859	7	↓ MOL2 SDF SMILES Flexibase

41784283

Analogs

41784268

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Popular Name: N-(4-isopropylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(4-isopropylphenyl)-N'-(4-pyrr…

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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)	2.71	7.81	-38.99	3	5	1	63	332.468	8	↓ MOL2 SDF SMILES Flexibase

41784284

Analogs

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Popular Name: N'-(4-pyrrolidin-1-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]oxamide N'-(4-pyrrolidin-1-ylbutyl)-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)	2.17	5.67	-39.49	3	6	1	72	374.383	9	↓ MOL2 SDF SMILES Flexibase

41784289

Analogs

41784311

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropylphenyl)-N'-(4-pyrrolidin-1-ylbutyl)oxamide N-(2-isopropylphenyl)-N'-(4-pyrr…

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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)	2.19	8.03	-38.79	3	5	1	63	332.468	8	↓ MOL2 SDF SMILES Flexibase

41784290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-pyrrolidin-1-ylbutyl)-N-(2,3,4-trifluorophenyl)oxamide N'-(4-pyrrolidin-1-ylbutyl)-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)	1.54	6.12	-40.93	3	5	1	63	344.357	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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