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ZINC Item

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747420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chlorophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(4-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)	5.32	10.05	-19.99	3	6	0	73	442.991	6	↓ MOL2 SDF SMILES Flexibase

747422

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(phenylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	4.64	-2.53	-14.03	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

747423

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.29	10.01	-21.1	3	6	0	73	442.991	6	↓ MOL2 SDF SMILES Flexibase

747424

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.51	10.51	-18.51	3	6	0	73	476.543	7	↓ MOL2 SDF SMILES Flexibase

747425

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(m-tolylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.06	-2.23	-14.01	3	6	0	73	422.573	6	↓ MOL2 SDF SMILES Flexibase

747426

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(p-tolylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.09	-2.21	-14.02	3	6	0	73	422.573	6	↓ MOL2 SDF SMILES Flexibase

747427

Analogs

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Popular Name: 5-[(3-fluorophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(3-fluorophenyl)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)	4.78	-1.82	-16.5	3	6	0	73	426.536	6	↓ MOL2 SDF SMILES Flexibase

747429

Analogs

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Popular Name: 5-[(2-bromophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.40	10.29	-16.18	3	6	0	73	487.442	6	↓ MOL2 SDF SMILES Flexibase

747430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-bromophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.42	10.12	-21.06	3	6	0	73	487.442	6	↓ MOL2 SDF SMILES Flexibase

747431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-bromophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.45	10.14	-19.95	3	6	0	73	487.442	6	↓ MOL2 SDF SMILES Flexibase

747432

Analogs

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Popular Name: 5-[(3-cyanophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(3-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)	4.37	9.89	-25.04	3	7	0	97	433.556	6	↓ MOL2 SDF SMILES Flexibase

747433

Analogs

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Popular Name: 5-[(2,4-difluorophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	4.89	9.69	-16.66	3	6	0	73	444.526	6	↓ MOL2 SDF SMILES Flexibase

747434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	4.68	-2.39	-13.91	3	8	0	91	468.598	8	↓ MOL2 SDF SMILES Flexibase

747435

Analogs

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Popular Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	4.50	11.7	-12.11	3	6	0	73	436.6	6	↓ MOL2 SDF SMILES Flexibase

747436

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(p-phenetylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.07	10.69	-13.5	3	7	0	83	452.599	8	↓ MOL2 SDF SMILES Flexibase

747437

Analogs

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Popular Name: 5-[(4-ethylphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.55	10.96	-19.52	3	6	0	73	436.6	7	↓ MOL2 SDF SMILES Flexibase

747438

Analogs

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Popular Name: N-isobutyl-5-[(2-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidino)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)	4.65	9.01	-17.69	3	7	0	83	438.572	7	↓ MOL2 SDF SMILES Flexibase

747439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidino)benzamide N-isobutyl-5-[(3-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)	4.67	8.81	-22.81	3	7	0	83	438.572	7	↓ MOL2 SDF SMILES Flexibase

747440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidino)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)	4.69	8.83	-20.74	3	7	0	83	438.572	7	↓ MOL2 SDF SMILES Flexibase

747441

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.07	11.48	-13.46	3	6	0	73	454.64	7	↓ MOL2 SDF SMILES Flexibase

747442

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(o-tolylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.04	-1.94	-13.72	3	6	0	73	422.573	6	↓ MOL2 SDF SMILES Flexibase

747443

Analogs

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Popular Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.69	10.63	-21.24	3	6	0	73	457.018	6	↓ MOL2 SDF SMILES Flexibase

747444

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	4.89	9.61	-24.16	3	6	0	73	444.526	6	↓ MOL2 SDF SMILES Flexibase

747445

Analogs

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Popular Name: 5-[(3-ethylphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.53	-2.08	-13.86	3	6	0	73	436.6	7	↓ MOL2 SDF SMILES Flexibase

747446

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.46	10.84	-19.52	3	6	0	73	436.6	6	↓ MOL2 SDF SMILES Flexibase

747447

Analogs

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Popular Name: 5-[(2,3-dimethylphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)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)	5.44	11.08	-19.47	3	6	0	73	436.6	6	↓ MOL2 SDF SMILES Flexibase

747448

Analogs

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Popular Name: 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(3,5-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)	4.68	8.16	-22.49	3	8	0	92	468.598	8	↓ MOL2 SDF SMILES Flexibase

747503

Analogs

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Popular Name: 5-[(2,3-dichlorophenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)benzamide 5-[(2,3-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)	5.45	9.93	-16.43	3	6	0	73	463.409	5	↓ MOL2 SDF SMILES Flexibase

747504

Analogs

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Popular Name: 5-[(2,4-difluorophenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)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)	4.44	9	-16.98	3	6	0	73	430.499	5	↓ MOL2 SDF SMILES Flexibase

747505

Analogs

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Popular Name: 5-[(2,6-dimethylphenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)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)	4.05	-1.77	-13.85	3	6	0	73	422.573	5	↓ MOL2 SDF SMILES Flexibase

747506

Analogs

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Popular Name: N-isopropyl-2-(4-methylpiperidino)-5-(p-phenetylcarbamoylamino)benzamide N-isopropyl-2-(4-methylpiperidin…

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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)	4.62	9.11	-20.88	3	7	0	83	438.572	7	↓ MOL2 SDF SMILES Flexibase

747507

Analogs

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Popular Name: N-isopropyl-2-(4-methylpiperidino)-5-(p-cumenylcarbamoylamino)benzamide N-isopropyl-2-(4-methylpiperidin…

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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)	5.70	10.77	-19.74	3	6	0	73	436.6	6	↓ MOL2 SDF SMILES Flexibase

747508

Analogs

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Popular Name: N-isopropyl-5-[(2-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidino)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)	4.20	-2.43	-13.43	3	7	0	82	424.545	6	↓ MOL2 SDF SMILES Flexibase

747509

Analogs

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Popular Name: N-isopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidino)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)	4.25	-2.59	-15.31	3	7	0	82	424.545	6	↓ MOL2 SDF SMILES Flexibase

747510

Analogs

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Popular Name: 5-[(3,4-dimethylphenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)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)	5.01	-1.99	-14.34	3	6	0	73	422.573	5	↓ MOL2 SDF SMILES Flexibase

747511

Analogs

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Popular Name: 5-[(2,3-dimethylphenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)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)	4.99	-1.79	-14.14	3	6	0	73	422.573	5	↓ MOL2 SDF SMILES Flexibase

747512

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)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)	4.96	9.37	-22.99	3	6	0	73	446.954	5	↓ MOL2 SDF SMILES Flexibase

747513

Analogs

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Popular Name: 5-[(2,6-dichlorophenyl)carbamoylamino]-N-isopropyl-2-(4-methylpiperidino)benzamide 5-[(2,6-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)	5.45	9.84	-17.85	3	6	0	73	463.409	5	↓ MOL2 SDF SMILES Flexibase

748579

Analogs

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Popular Name: 5-[(4-chlorophenyl)carbamoylamino]-N-[(1R)-1-methylpropyl]-2-piperidino-benzamide 5-[(4-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)	5.16	-2.7	-14.23	3	6	0	73	428.964	6	↓ MOL2 SDF SMILES Flexibase

748580

Analogs

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Popular Name: 5-[(4-chlorophenyl)carbamoylamino]-N-[(1S)-1-methylpropyl]-2-piperidino-benzamide 5-[(4-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)	5.16	-2.75	-14.3	3	6	0	73	428.964	6	↓ MOL2 SDF SMILES Flexibase

748583

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-5-(phenylcarbamoylamino)-2-piperidino-benzamide N-[(1R)-1-methylpropyl]-5-(pheny…

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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)	4.48	9.24	-19.91	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

748584

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-5-(phenylcarbamoylamino)-2-piperidino-benzamide N-[(1S)-1-methylpropyl]-5-(pheny…

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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)	4.48	9.17	-19.91	3	6	0	73	394.519	6	↓ MOL2 SDF SMILES Flexibase

748585

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-[(1R)-1-methylpropyl]-2-piperidino-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)	5.14	-2.7	-13.11	3	6	0	73	428.964	6	↓ MOL2 SDF SMILES Flexibase

748586

Analogs

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Popular Name: 5-[(3-chlorophenyl)carbamoylamino]-N-[(1S)-1-methylpropyl]-2-piperidino-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)	5.14	-2.72	-15.83	3	6	0	73	428.964	6	↓ MOL2 SDF SMILES Flexibase

748589

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-5-(m-tolylcarbamoylamino)-2-piperidino-benzamide N-[(1R)-1-methylpropyl]-5-(m-tol…

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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)	4.91	-2.23	-14.1	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

748590

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-5-(m-tolylcarbamoylamino)-2-piperidino-benzamide N-[(1S)-1-methylpropyl]-5-(m-tol…

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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)	4.91	-2.23	-14.15	3	6	0	73	408.546	6	↓ MOL2 SDF SMILES Flexibase

748595

Analogs

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Popular Name: 4-[[3-[[(1R)-1-methylpropyl]carbamoyl]-4-piperidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-[[(1R)-1-methylpropyl]carb…

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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)	5.03	11.74	-17.4	3	8	0	100	466.582	9	↓ MOL2 SDF SMILES Flexibase

748596

Analogs

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Popular Name: 4-[[3-[[(1S)-1-methylpropyl]carbamoyl]-4-piperidino-phenyl]carbamoylamino]benzoic-acid-ethyl-ester 4-[[3-[[(1S)-1-methylpropyl]carb…

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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)	5.03	11.74	-17.42	3	8	0	100	466.582	9	↓ MOL2 SDF SMILES Flexibase

748597

Analogs

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Popular Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1R)-1-methylpropyl]-2-piperidino-benzamide 5-[(3-fluorophenyl)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)	4.62	-1.81	-13.49	3	6	0	73	412.509	6	↓ MOL2 SDF SMILES Flexibase

748598

Analogs

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Popular Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1S)-1-methylpropyl]-2-piperidino-benzamide 5-[(3-fluorophenyl)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)	4.62	-1.81	-16.95	3	6	0	73	412.509	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 689
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 = 689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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