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ZINC Item

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749309

Analogs

35709945

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-urea 1-[[5-[(2-methylbenzyl)thio]-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)	4.62	13.7	-17	2	9	0	118	474.546	8	↓ MOL2 SDF SMILES Flexibase

749310

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-chlorophenyl)-3-[[5-[(2-met…

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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)	5.27	-0.79	-13.36	2	9	0	117	508.991	8	↓ MOL2 SDF SMILES Flexibase

749312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(m-tolyl)urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.04	14.37	-17.07	2	9	0	118	488.573	8	↓ MOL2 SDF SMILES Flexibase

749313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[5-[(2-met…

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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	13.74	-15.02	2	9	0	118	492.536	8	↓ MOL2 SDF SMILES Flexibase

749314

Analogs

35706127

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-fluorophenyl)-3-[[5-[(2-met…

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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)	4.76	13.78	-16.36	2	9	0	118	492.536	8	↓ MOL2 SDF SMILES Flexibase

749318

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,4-difluorophenyl)-3-[[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)	4.87	13.8	-14.37	2	9	0	118	510.526	8	↓ MOL2 SDF SMILES Flexibase

749319

Analogs

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Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-p-phenetyl-urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.05	13.88	-15.1	2	10	0	127	518.599	10	↓ MOL2 SDF SMILES Flexibase

749320

Analogs

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Popular Name: 1-(4-ethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(4-ethylphenyl)-3-[[5-[(2-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)	5.53	15.11	-16.74	2	9	0	118	502.6	9	↓ MOL2 SDF SMILES Flexibase

749321

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[5-[(2-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)	4.65	13.02	-17.24	2	10	0	127	504.572	9	↓ MOL2 SDF SMILES Flexibase

749322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,4-dimethylphenyl)-3-[[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)	5.44	15.18	-17.25	2	9	0	118	502.6	8	↓ MOL2 SDF SMILES Flexibase

749323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3,4-difluorophenyl)-3-[[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)	4.87	13.76	-20.68	2	9	0	118	510.526	8	↓ MOL2 SDF SMILES Flexibase

749324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-ethylphenyl)-3-[[5-[(2-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)	5.51	15.14	-16.81	2	9	0	118	502.6	9	↓ MOL2 SDF SMILES Flexibase

749326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2-ethylphenyl)-3-[[5-[(2-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)	5.48	15.27	-15.99	2	9	0	118	502.6	9	↓ MOL2 SDF SMILES Flexibase

749329

Analogs

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Popular Name: 1-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-urea 1-[[5-(m-anisylthio)-4-(4-nitrop…

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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	12.36	-17.85	2	10	0	127	490.545	9	↓ MOL2 SDF SMILES Flexibase

749333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(m-tolyl)urea 1-[[5-(m-anisylthio)-4-(4-nitrop…

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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	12.99	-18	2	10	0	127	504.572	9	↓ MOL2 SDF SMILES Flexibase

749335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[5-(m-anis…

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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	12.46	-16.27	2	10	0	127	508.535	9	↓ MOL2 SDF SMILES Flexibase

749336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-fluorophenyl)-3-[[5-(m-anis…

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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)	4.39	12.43	-20.4	2	10	0	127	508.535	9	↓ MOL2 SDF SMILES Flexibase

749341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,6-dimethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,6-dimethylphenyl)-3-[[5-(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)	4.11	13.66	-16.97	2	10	0	127	518.599	9	↓ MOL2 SDF SMILES Flexibase

749342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(4-ethylphenyl)-3-[[5-(m-anisy…

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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	13.79	-17.74	2	10	0	127	518.599	10	↓ MOL2 SDF SMILES Flexibase

749344

Analogs

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Popular Name: 1-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(o-tolyl)urea 1-[[5-(m-anisylthio)-4-(4-nitrop…

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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	13.15	-17.86	2	10	0	127	504.572	9	↓ MOL2 SDF SMILES Flexibase

749347

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,4-dimethylphenyl)-3-[[5-(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)	5.08	13.8	-17.97	2	10	0	127	518.599	9	↓ MOL2 SDF SMILES Flexibase

749349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-ethylphenyl)-3-[[5-(m-anisy…

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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	13.76	-17.71	2	10	0	127	518.599	10	↓ MOL2 SDF SMILES Flexibase

749350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3,4-dimethylphenyl)-3-[[5-(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)	5.08	13.65	-18.16	2	10	0	127	518.599	9	↓ MOL2 SDF SMILES Flexibase

749351

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,3-dimethylphenyl)-3-[[5-(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)	5.05	13.85	-18.11	2	10	0	127	518.599	9	↓ MOL2 SDF SMILES Flexibase

749361

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-(3-cyanopheny 1-[[4-(5-chloro-2-methyl-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)	5.87	14.79	-18.67	2	7	0	96	503.031	7	↓ MOL2 SDF SMILES Flexibase

749363

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-(2-methoxyphe 1-[[4-(5-chloro-2-methyl-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)	6.15	13.94	-14.11	2	7	0	81	508.047	8	↓ MOL2 SDF SMILES Flexibase

749366

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(m-tolyl)urea 1-[[4-(5-chloro-2-methyl-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)	6.19	13.78	-15.36	2	7	0	81	508.047	8	↓ MOL2 SDF SMILES Flexibase

749367

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea 1-[[4-(5-chloro-2-methyl-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)	6.22	13.8	-15.24	2	7	0	81	508.047	8	↓ MOL2 SDF SMILES Flexibase

749369

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-fluorophenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.88	13.25	-13.98	2	7	0	81	512.01	8	↓ MOL2 SDF SMILES Flexibase

749370

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(3-fluorophenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.91	13.21	-17.41	2	7	0	81	512.01	8	↓ MOL2 SDF SMILES Flexibase

749375

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-methoxyphenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.78	12.57	-14.76	2	8	0	90	524.046	9	↓ MOL2 SDF SMILES Flexibase

749376

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(3-methoxyphenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.80	12.47	-18.32	2	8	0	90	524.046	9	↓ MOL2 SDF SMILES Flexibase

749377

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(4-methoxyphenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.83	12.45	-16.74	2	8	0	90	524.046	9	↓ MOL2 SDF SMILES Flexibase

749378

Analogs

35709935

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(o-tolyl)urea 1-[[4-(5-chloro-2-methyl-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)	6.17	13.94	-15.24	2	7	0	81	508.047	8	↓ MOL2 SDF SMILES Flexibase

749381

Analogs

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Popular Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(4-cyanophenyl)urea 1-[[4-(5-chloro-2-methyl-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)	5.52	13.5	-17.81	2	8	0	105	519.03	8	↓ MOL2 SDF SMILES Flexibase

749382

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[5-[(2-met…

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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)	5.79	14.21	-14.36	2	6	0	72	478.021	7	↓ MOL2 SDF SMILES Flexibase

749385

Analogs

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Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.11	13.69	-14.5	2	6	0	72	443.576	7	↓ MOL2 SDF SMILES Flexibase

749386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-(m-tolyl)urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.53	14.36	-14.75	2	6	0	72	457.603	7	↓ MOL2 SDF SMILES Flexibase

749387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.56	14.32	-14.48	2	6	0	72	457.603	7	↓ MOL2 SDF SMILES Flexibase

749388

Analogs

35706543

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Popular Name: 4-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methylcarbamoylamino]benzoic-acid-ethyl- 4-[[5-[(2-methylbenzyl)thio]-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)	5.65	15.23	-17.46	2	8	0	98	515.639	10	↓ MOL2 SDF SMILES Flexibase

749389

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[5-[(2-met…

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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)	5.22	13.73	-12.85	2	6	0	72	461.566	7	↓ MOL2 SDF SMILES Flexibase

749390

Analogs

35706544

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-fluorophenyl)-3-[[5-[(2-met…

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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)	5.25	13.77	-13.58	2	6	0	72	461.566	7	↓ MOL2 SDF SMILES Flexibase

749391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-difluorophenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,4-difluorophenyl)-3-[[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)	5.36	13.8	-11.75	2	6	0	72	479.556	7	↓ MOL2 SDF SMILES Flexibase

749392

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,4-dimethoxyphenyl)-3-[[5-[(…

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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)	5.15	12.45	-14.27	2	8	0	90	503.628	9	↓ MOL2 SDF SMILES Flexibase

749393

Analogs

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Popular Name: 1-(2,6-dimethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2,6-dimethylphenyl)-3-[[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)	4.97	14.82	-13.53	2	6	0	72	471.63	7	↓ MOL2 SDF SMILES Flexibase

749394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-p-phenetyl-urea 1-[[5-[(2-methylbenzyl)thio]-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)	5.54	13.89	-15.84	2	7	0	81	487.629	9	↓ MOL2 SDF SMILES Flexibase

749395

Analogs

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Popular Name: 1-(4-ethylphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(4-ethylphenyl)-3-[[5-[(2-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)	6.02	15.1	-14.3	2	6	0	72	471.63	8	↓ MOL2 SDF SMILES Flexibase

749396

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(2-methoxyphenyl)-3-[[5-[(2-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)	5.12	13.07	-13.71	2	7	0	81	473.602	8	↓ MOL2 SDF SMILES Flexibase

749397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[5-[(2-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)	5.14	13.01	-14.74	2	7	0	81	473.602	8	↓ MOL2 SDF SMILES Flexibase

749398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea 1-(4-methoxyphenyl)-3-[[5-[(2-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)	5.16	12.97	-15.93	2	7	0	81	473.602	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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