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ZINC Item

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747394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-5-(phenylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(phenylcarbamoylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	7.9	-20.49	3	6	0	73	380.492	6	↓ MOL2 SDF SMILES Flexibase

747395

Analogs

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Popular Name: N-isobutyl-5-(m-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(m-tolylcarbamoylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.32	-2.82	-14.64	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

747396

Analogs

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Popular Name: N-isobutyl-5-(p-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(p-tolylcarbamoylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.34	-2.82	-14.75	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

747397

Analogs

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Popular Name: 4-[[3-(isobutylcarbamoyl)-4-pyrrolidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-(isobutylcarbamoyl)-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)	4.44	9.55	-23.73	3	8	0	100	452.555	9	↓ MOL2 SDF SMILES Flexibase

747398

Analogs

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Popular Name: N-isobutyl-2-pyrrolidino-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide N-isobutyl-2-pyrrolidino-5-[[2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	9.31	-16.86	3	6	0	73	448.489	7	↓ MOL2 SDF SMILES Flexibase

747400

Analogs

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Popular Name: 5-[(2-bromophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2-bromophenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.65	9.93	-10.94	3	6	0	73	459.388	6	↓ MOL2 SDF SMILES Flexibase

747401

Analogs

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Popular Name: 5-[(3-bromophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(3-bromophenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	8.61	-22.25	3	6	0	73	459.388	6	↓ MOL2 SDF SMILES Flexibase

747402

Analogs

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Popular Name: 5-[(2,4-dichlorophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2,4-dichlorophenyl)carbamoyl…

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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)	5.18	9.14	-16.6	3	6	0	73	449.382	6	↓ MOL2 SDF SMILES Flexibase

747403

Analogs

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Popular Name: 5-[(2,4-difluorophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2,4-difluorophenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	-1.62	-12.48	3	6	0	73	416.472	6	↓ MOL2 SDF SMILES Flexibase

747404

Analogs

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Popular Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2,6-dimethylphenyl)carbamoyl…

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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)	3.76	-2.41	-14.25	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747405

Analogs

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Popular Name: N-isobutyl-5-(p-phenetylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(p-phenetylcarbamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.32	-3.11	-15.46	3	7	0	82	424.545	8	↓ MOL2 SDF SMILES Flexibase

747406

Analogs

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Popular Name: 5-[(4-ethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(4-ethylphenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	-2.66	-14.57	3	6	0	73	408.546	7	↓ MOL2 SDF SMILES Flexibase

747407

Analogs

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Popular Name: N-isobutyl-5-(p-cumenylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(p-cumenylcarbamoyl…

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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)	5.40	-2.36	-14.51	3	6	0	73	422.573	7	↓ MOL2 SDF SMILES Flexibase

747408

Analogs

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Popular Name: N-isobutyl-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidino-benzamide N-isobutyl-5-[(2-methoxyphenyl)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)	3.90	-3.01	-14.06	3	7	0	82	410.518	7	↓ MOL2 SDF SMILES Flexibase

747409

Analogs

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Popular Name: N-isobutyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidino-benzamide N-isobutyl-5-[(4-methoxyphenyl)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)	3.95	-3.13	-15.66	3	7	0	82	410.518	7	↓ MOL2 SDF SMILES Flexibase

747410

Analogs

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Popular Name: N-isobutyl-5-[[4-(methylthio)phenyl]carbamoylamino]-2-pyrrolidino-benzamide N-isobutyl-5-[[4-(methylthio)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)	4.33	-3.5	-15.15	3	6	0	73	426.586	7	↓ MOL2 SDF SMILES Flexibase

747411

Analogs

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Popular Name: N-isobutyl-5-(o-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(o-tolylcarbamoylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	-2.6	-14.66	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

747412

Analogs

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Popular Name: N-isobutyl-2-pyrrolidino-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide N-isobutyl-2-pyrrolidino-5-[[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)	4.79	9.02	-21.6	3	6	0	73	448.489	7	↓ MOL2 SDF SMILES Flexibase

747413

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2,4-dimethylphenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	-2.25	-14.73	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747414

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	-1.68	-15.27	3	6	0	73	416.472	6	↓ MOL2 SDF SMILES Flexibase

747415

Analogs

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Popular Name: 5-[(3-ethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(3-ethylphenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	-2.68	-14.39	3	6	0	73	408.546	7	↓ MOL2 SDF SMILES Flexibase

747416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(3,4-dimethylphenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	-2.55	-14.76	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,3-dimethylphenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(2,3-dimethylphenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	-2.45	-14.73	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747418

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(3-chloro-4-fluoro-phenyl)car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	8.55	-20.63	3	6	0	73	432.927	6	↓ MOL2 SDF SMILES Flexibase

747419

Analogs

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Popular Name: 5-[(4-cyanophenyl)carbamoylamino]-N-isobutyl-2-pyrrolidino-benzamide 5-[(4-cyanophenyl)carbamoylamino…

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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)	3.65	-1.76	-17.95	3	7	0	97	405.502	6	↓ MOL2 SDF SMILES Flexibase

747463

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3-chlorophenyl)carbamoylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	-3.37	-16.77	3	6	0	73	400.91	5	↓ MOL2 SDF SMILES Flexibase

747464

Analogs

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Popular Name: N-isopropyl-2-pyrrolidino-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide N-isopropyl-2-pyrrolidino-5-[[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)	4.31	8.32	-19.89	3	6	0	73	434.462	6	↓ MOL2 SDF SMILES Flexibase

747465

Analogs

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Popular Name: N-isopropyl-5-(m-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isopropyl-5-(m-tolylcarbamoyla…

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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)	3.87	-2.89	-14.98	3	6	0	73	380.492	5	↓ MOL2 SDF SMILES Flexibase

747466

Analogs

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Popular Name: N-isopropyl-5-(p-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isopropyl-5-(p-tolylcarbamoyla…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	-2.89	-15.1	3	6	0	73	380.492	5	↓ MOL2 SDF SMILES Flexibase

747468

Analogs

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Popular Name: 4-[[3-(isopropylcarbamoyl)-4-pyrrolidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-(isopropylcarbamoyl)-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)	3.99	8.77	-23.95	3	8	0	100	438.528	8	↓ MOL2 SDF SMILES Flexibase

747469

Analogs

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Popular Name: 5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[[3,5-bis(trifluoromethyl)phen…

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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)	5.16	9.28	-22.29	3	6	0	73	502.459	7	↓ MOL2 SDF SMILES Flexibase

747470

Analogs

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Popular Name: 5-[(2-bromophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(2-bromophenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	7.93	-17.5	3	6	0	73	445.361	5	↓ MOL2 SDF SMILES Flexibase

747471

Analogs

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Popular Name: 5-[(3-bromophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3-bromophenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	7.92	-22.64	3	6	0	73	445.361	5	↓ MOL2 SDF SMILES Flexibase

747472

Analogs

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Popular Name: 5-[(4-bromophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(4-bromophenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	7.83	-21.09	3	6	0	73	445.361	5	↓ MOL2 SDF SMILES Flexibase

747473

Analogs

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Popular Name: 5-[(2,4-dichlorophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(2,4-dichlorophenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.73	8.45	-16.98	3	6	0	73	435.355	5	↓ MOL2 SDF SMILES Flexibase

747474

Analogs

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Popular Name: 5-[(2,6-diisopropylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(2,6-diisopropylphenyl)carbam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	-1.79	-13.03	3	6	0	73	450.627	7	↓ MOL2 SDF SMILES Flexibase

747475

Analogs

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Popular Name: 5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(2,4-dimethoxyphenyl)carbamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	-3.07	-15.02	3	8	0	91	426.517	7	↓ MOL2 SDF SMILES Flexibase

747476

Analogs

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Popular Name: N-isopropyl-5-(p-phenetylcarbamoylamino)-2-pyrrolidino-benzamide N-isopropyl-5-(p-phenetylcarbamo…

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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)	3.88	-3.19	-15.79	3	7	0	82	410.518	7	↓ MOL2 SDF SMILES Flexibase

747477

Analogs

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Popular Name: 5-[(4-ethylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(4-ethylphenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	-2.73	-15.02	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

747478

Analogs

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Popular Name: N-isopropyl-5-(p-cumenylcarbamoylamino)-2-pyrrolidino-benzamide N-isopropyl-5-(p-cumenylcarbamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.95	-2.52	-14.81	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747479

Analogs

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Popular Name: N-isopropyl-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidino-benzamide N-isopropyl-5-[(2-methoxyphenyl)…

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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)	3.45	-3.17	-14.43	3	7	0	82	396.491	6	↓ MOL2 SDF SMILES Flexibase

747480

Analogs

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Popular Name: N-isopropyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidino-benzamide N-isopropyl-5-[(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	-3.19	-18.35	3	7	0	82	396.491	6	↓ MOL2 SDF SMILES Flexibase

747481

Analogs

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Popular Name: N-isopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidino-benzamide N-isopropyl-5-[(4-methoxyphenyl)…

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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)	3.50	-3.2	-15.94	3	7	0	82	396.491	6	↓ MOL2 SDF SMILES Flexibase

747482

Analogs

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Popular Name: N-isopropyl-5-[[4-(methylthio)phenyl]carbamoylamino]-2-pyrrolidino-benzamide N-isopropyl-5-[[4-(methylthio)ph…

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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)	3.88	-3.57	-15.53	3	6	0	73	412.559	6	↓ MOL2 SDF SMILES Flexibase

747483

Analogs

35706743

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Popular Name: N-isopropyl-5-(o-tolylcarbamoylamino)-2-pyrrolidino-benzamide N-isopropyl-5-(o-tolylcarbamoyla…

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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)	3.84	-2.75	-14.99	3	6	0	73	380.492	5	↓ MOL2 SDF SMILES Flexibase

747484

Analogs

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Popular Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3-chloro-4-methyl-phenyl)car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.50	-3.08	-16.65	3	6	0	73	414.937	5	↓ MOL2 SDF SMILES Flexibase

747485

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(2,4-dimethylphenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	-2.32	-15.12	3	6	0	73	394.519	5	↓ MOL2 SDF SMILES Flexibase

747486

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3,4-difluorophenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	-1.78	-19.04	3	6	0	73	402.445	5	↓ MOL2 SDF SMILES Flexibase

747487

Analogs

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Popular Name: 5-[(3-ethylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3-ethylphenyl)carbamoylamino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.33	-2.75	-14.68	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

747488

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidino-benzamide 5-[(3,4-dimethylphenyl)carbamoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	8.62	-20.76	3	6	0	73	394.519	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 687
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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