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58316047

Analogs

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Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chloro-2-fluoro-phenyl)-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)	3.42	7.12	-38.57	3	4	1	46	314.812	4	↓ MOL2 SDF SMILES Flexibase

58316049

Analogs

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Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chloro-2-fluoro-phenyl)-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)	3.42	7.07	-38.64	3	4	1	46	314.812	4	↓ MOL2 SDF SMILES Flexibase

58323776

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chloro-2-methyl-phenyl)-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)	3.68	7.76	-40.13	3	4	1	46	310.849	4	↓ MOL2 SDF SMILES Flexibase

58323777

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chloro-2-methyl-phenyl)-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)	3.68	7.76	-40.6	3	4	1	46	310.849	4	↓ MOL2 SDF SMILES Flexibase

58323805

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(3-methoxyphenyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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)	2.68	5.83	-43.04	3	5	1	55	292.403	5	↓ MOL2 SDF SMILES Flexibase

58323807

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(3-methoxyphenyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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)	2.68	5.76	-43.29	3	5	1	55	292.403	5	↓ MOL2 SDF SMILES Flexibase

62824736

Analogs

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Popular Name: 5-iodo-2-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 5-iodo-2-[[(3R)-1-methylpyrrolid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.32	-63.15	3	6	0	86	403.22	4	↓ MOL2 SDF SMILES Flexibase

62824737

Analogs

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Popular Name: 5-iodo-2-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 5-iodo-2-[[(3S)-1-methylpyrrolid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.3	-62.55	3	6	0	86	403.22	4	↓ MOL2 SDF SMILES Flexibase

62827198

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 3-bromo-2-[[(3R)-1-methylpyrroli…

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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)	2.78	6.77	-64.43	3	6	0	86	356.22	4	↓ MOL2 SDF SMILES Flexibase

62827199

Analogs

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Popular Name: 3-bromo-2-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 3-bromo-2-[[(3S)-1-methylpyrroli…

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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)	2.78	6.78	-64.25	3	6	0	86	356.22	4	↓ MOL2 SDF SMILES Flexibase

66682995

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[[(3R)-1-propylpyrrolidin-3-yl]methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[[(3R)-1-…

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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)	3.10	7.35	-46.5	4	6	1	75	361.51	7	↓ MOL2 SDF SMILES Flexibase

66682997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-methyl-4-[[(3S)-1-propylpyrrolidin-3-yl]methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[[(3S)-1-…

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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)	3.10	7.32	-46.74	4	6	1	75	361.51	7	↓ MOL2 SDF SMILES Flexibase

63009332

Analogs

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Popular Name: 3-fluoro-4-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 3-fluoro-4-[[(3R)-1-methylpyrrol…

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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	5.95	-76.19	3	6	0	86	295.314	4	↓ MOL2 SDF SMILES Flexibase

63009333

Analogs

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Popular Name: 3-fluoro-4-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]benzoic 3-fluoro-4-[[(3S)-1-methylpyrrol…

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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	5.93	-76.24	3	6	0	86	295.314	4	↓ MOL2 SDF SMILES Flexibase

65531968

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3R)-1-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)	2.09	5.41	-41	3	4	1	46	252.313	3	↓ MOL2 SDF SMILES Flexibase

65531972

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3S)-1-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)	2.09	5.38	-40.96	3	4	1	46	252.313	3	↓ MOL2 SDF SMILES Flexibase

65531976

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[(3R)-1-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)	2.01	4.59	-44.42	3	5	1	55	264.349	4	↓ MOL2 SDF SMILES Flexibase

65531980

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[(3S)-1-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)	2.01	4.6	-45.59	3	5	1	55	264.349	4	↓ MOL2 SDF SMILES Flexibase

65534639

Analogs

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Popular Name: 1-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea 1-methyl-1-[[(3S)-1-methylpyrrol…

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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)	3.07	8.68	-35.98	2	4	1	37	316.347	4	↓ MOL2 SDF SMILES Flexibase

65534645

Analogs

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Popular Name: 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea 1-methyl-1-[[(3R)-1-methylpyrrol…

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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)	3.07	8.73	-38.49	2	4	1	37	316.347	4	↓ MOL2 SDF SMILES Flexibase

67473039

Analogs

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Popular Name: 1-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-(4-methoxy-2-methyl-phenyl)urea 1-[[(3R)-1-ethylpyrrolidin-3-yl]…

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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)	2.79	6.13	-42.81	3	5	1	55	292.403	5	↓ MOL2 SDF SMILES Flexibase

67473040

Analogs

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Popular Name: 1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-(4-methoxy-2-methyl-phenyl)urea 1-[[(3S)-1-ethylpyrrolidin-3-yl]…

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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)	2.79	6.15	-43.36	3	5	1	55	292.403	5	↓ MOL2 SDF SMILES Flexibase

49396714

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-chlorophenyl)-3-[[(3R)-1-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	7.16	-38.53	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396715

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-chlorophenyl)-3-[[(3S)-1-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	7.08	-38.46	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396721

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(3R)-1-is…

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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)	3.33	7.04	-40.96	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396723

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(3S)-1-is…

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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)	3.33	7.03	-41.34	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396725

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chlorophenyl)-3-[[(3R)-1-is…

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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)	3.31	7.02	-41.51	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396727

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chlorophenyl)-3-[[(3S)-1-is…

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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)	3.31	6.98	-42.02	3	4	1	46	296.822	4	↓ MOL2 SDF SMILES Flexibase

49396729

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-fluorophenyl)-3-[[(3R)-1-is…

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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)	2.81	6.59	-41.7	3	4	1	46	280.367	4	↓ MOL2 SDF SMILES Flexibase

49396731

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-fluorophenyl)-3-[[(3S)-1-is…

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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)	2.81	6.57	-42.08	3	4	1	46	280.367	4	↓ MOL2 SDF SMILES Flexibase

49396733

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(p-tolyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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)	3.10	7.08	-40.92	3	4	1	46	276.404	4	↓ MOL2 SDF SMILES Flexibase

49396735

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(p-tolyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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)	3.10	7.05	-40.44	3	4	1	46	276.404	4	↓ MOL2 SDF SMILES Flexibase

49396737

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-phenyl-urea 1-[[(3R)-1-isopropylpyrrolidin-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)	2.65	6.49	-40.14	3	4	1	46	262.377	4	↓ MOL2 SDF SMILES Flexibase

49396739

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-phenyl-urea 1-[[(3S)-1-isopropylpyrrolidin-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)	2.65	6.46	-40.47	3	4	1	46	262.377	4	↓ MOL2 SDF SMILES Flexibase

49396744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(m-tolyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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)	3.08	7.12	-40.32	3	4	1	46	276.404	4	↓ MOL2 SDF SMILES Flexibase

49396746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(m-tolyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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)	3.08	7.05	-40.53	3	4	1	46	276.404	4	↓ MOL2 SDF SMILES Flexibase

49396748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3R)-1-is…

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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)	2.77	6.64	-38.96	3	4	1	46	280.367	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	4.99	-89.16	4	4	2	51	281.375	5	↓ MOL2 SDF SMILES Flexibase

49396750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3S)-1-is…

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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)	2.77	6.55	-38.96	3	4	1	46	280.367	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	4.91	-89.11	4	4	2	51	281.375	5	↓ MOL2 SDF SMILES Flexibase

41651189

Analogs

46956448
46956450

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3R)-1-et…

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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	6.41	-47.89	3	5	1	63	290.387	5	↓ MOL2 SDF SMILES Flexibase

41651194

Analogs

46956448
46956450

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3S)-1-et…

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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	6.36	-48.88	3	5	1	63	290.387	5	↓ MOL2 SDF SMILES Flexibase

41651199

Analogs

46956060
48507704
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3R)-1-et…

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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	6.44	-45.6	3	5	1	63	290.387	5	↓ MOL2 SDF SMILES Flexibase

41651205

Analogs

46956060
48507704
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3S)-1-et…

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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	6.38	-45.56	3	5	1	63	290.387	5	↓ MOL2 SDF SMILES Flexibase

49414725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(2,3-difluorophenyl)-3-[[(3R)-…

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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	6.19	-41.23	3	4	1	46	284.33	4	↓ MOL2 SDF SMILES Flexibase

49414727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(2,3-difluorophenyl)-3-[[(3S)-…

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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	6.13	-41.11	3	4	1	46	284.33	4	↓ MOL2 SDF SMILES Flexibase

41703439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3S)-1-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)	1.85	5.71	-50.07	3	5	1	63	276.36	4	↓ MOL2 SDF SMILES Flexibase

41703441

Analogs

46956448
46956450

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3R)-1-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)	1.85	5.71	-49.21	3	5	1	63	276.36	4	↓ MOL2 SDF SMILES Flexibase

41703443

Analogs

48507704
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3S)-1-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)	1.88	5.71	-47.17	3	5	1	63	276.36	4	↓ MOL2 SDF SMILES Flexibase

41703445

Analogs

48507704
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3R)-1-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)	1.88	5.71	-46.72	3	5	1	63	276.36	4	↓ MOL2 SDF SMILES Flexibase

41707138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[[(3R)-1-ethylpyrrolidin-3-yl]…

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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)	1.89	4.25	-42.29	4	5	1	66	292.403	5	↓ MOL2 SDF SMILES Flexibase

41707141

Analogs

46955826
46955828
46956448
46956450
46956905

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[[(3S)-1-ethylpyrrolidin-3-yl]…

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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)	1.89	4.2	-42.82	4	5	1	66	292.403	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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