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1785693

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-phenyl-benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	4.98	10.95	-15.26	2	6	0	80	445.906	7	↓ MOL2 SDF SMILES Flexibase

1785694

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(o-tolyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.38	12.05	-11.81	2	6	0	80	459.933	7	↓ MOL2 SDF SMILES Flexibase

1785695

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(m-tolyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.41	11.68	-12.85	2	6	0	80	459.933	7	↓ MOL2 SDF SMILES Flexibase

1785696

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(p-tolyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.43	11.68	-12.9	2	6	0	80	459.933	7	↓ MOL2 SDF SMILES Flexibase

1785697

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2,3-dimethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	12.61	-11.95	2	6	0	80	473.96	7	↓ MOL2 SDF SMILES Flexibase

1785698

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2,4-dimethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.81	12.56	-13.08	2	6	0	80	473.96	7	↓ MOL2 SDF SMILES Flexibase

1785699

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2,5-dimethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.81	12.72	-11.89	2	6	0	80	473.96	7	↓ MOL2 SDF SMILES Flexibase

1785700

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3,5-dimethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.81	12.36	-13.38	2	6	0	80	473.96	7	↓ MOL2 SDF SMILES Flexibase

1785701

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3-chloro-4-methyl-phenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	6.04	12.27	-13.19	2	6	0	80	494.378	7	↓ MOL2 SDF SMILES Flexibase

1785702

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(4-chloro-2-methyl-phenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	6.04	12.36	-12.45	2	6	0	80	494.378	7	↓ MOL2 SDF SMILES Flexibase

1785704

Analogs

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Popular Name: N-(4-butylphenyl)-3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzamide N-(4-butylphenyl)-3-[(4-chloro-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)	6.85	0.39	-12.53	2	6	0	80	502.014	10	↓ MOL2 SDF SMILES Flexibase

1785708

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2-methoxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	10.56	-11.54	2	7	0	89	475.932	8	↓ MOL2 SDF SMILES Flexibase

1785709

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3-methoxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.02	10.31	-16.04	2	7	0	89	475.932	8	↓ MOL2 SDF SMILES Flexibase

1785710

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(4-methoxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	10.29	-14.42	2	7	0	89	475.932	8	↓ MOL2 SDF SMILES Flexibase

1785711

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-o-phenetyl-benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.37	-0.25	-11.19	2	7	0	89	489.959	9	↓ MOL2 SDF SMILES Flexibase

1785712

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-p-phenetyl-benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	-0.31	-14.18	2	7	0	89	489.959	9	↓ MOL2 SDF SMILES Flexibase

1785713

Analogs

1963363

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2,4-dimethoxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.02	-0.25	-11.79	2	8	0	98	505.958	9	↓ MOL2 SDF SMILES Flexibase

1785714

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3-chlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.64	11.53	-14.42	2	6	0	80	480.351	7	↓ MOL2 SDF SMILES Flexibase

1785715

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2-chlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.61	11.65	-10.82	2	6	0	80	480.351	7	↓ MOL2 SDF SMILES Flexibase

1785716

Analogs

1953555

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(4-chlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.66	11.52	-12.61	2	6	0	80	480.351	7	↓ MOL2 SDF SMILES Flexibase

1785718

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(4-fluorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	11.07	-13.21	2	6	0	80	463.896	7	↓ MOL2 SDF SMILES Flexibase

1785720

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.85	1.84	-15.78	2	6	0	80	513.903	8	↓ MOL2 SDF SMILES Flexibase

1785722

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3,4-dichlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	6.27	-0.62	-14.38	2	6	0	80	514.796	7	↓ MOL2 SDF SMILES Flexibase

1785723

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2,4-dichlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	6.27	-0.46	-9.72	2	6	0	80	514.796	7	↓ MOL2 SDF SMILES Flexibase

1785724

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3,5-dichlorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	6.27	-0.63	-12.5	2	6	0	80	514.796	7	↓ MOL2 SDF SMILES Flexibase

1785725

Analogs

1953555

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3-chloro-4-fluoro-phenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.75	0.24	-15.05	2	6	0	80	498.341	7	↓ MOL2 SDF SMILES Flexibase

1785726

Analogs

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Popular Name: 3-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-methyl-este 3-[[3-[(4-chloro-2,5-diketo-1-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)	5.13	0.8	-20.63	2	8	0	106	503.942	9	↓ MOL2 SDF SMILES Flexibase

1785727

Analogs

1953569

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Popular Name: 3-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-ethyl-ester 3-[[3-[(4-chloro-2,5-diketo-1-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)	5.51	0.77	-20.09	2	8	0	106	517.969	10	↓ MOL2 SDF SMILES Flexibase

1785729

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2-ethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.85	0.47	-12.48	2	6	0	80	473.96	8	↓ MOL2 SDF SMILES Flexibase

1785730

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(4-ethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.90	12.44	-12.67	2	6	0	80	473.96	8	↓ MOL2 SDF SMILES Flexibase

1785731

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3,4-dimethylphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.81	0.22	-11.86	2	6	0	80	473.96	7	↓ MOL2 SDF SMILES Flexibase

1785732

Analogs

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Popular Name: 4-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-methyl-este 4-[[3-[(4-chloro-2,5-diketo-1-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)	5.15	0.8	-17.2	2	8	0	106	503.942	9	↓ MOL2 SDF SMILES Flexibase

1785733

Analogs

1953569

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-ethyl-ester 4-[[3-[(4-chloro-2,5-diketo-1-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)	5.53	0.76	-16.95	2	8	0	106	517.969	10	↓ MOL2 SDF SMILES Flexibase

1785736

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2-fluorophenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.10	0.44	-11.3	2	6	0	80	463.896	7	↓ MOL2 SDF SMILES Flexibase

1785737

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(5-chloro-2-methoxy-phenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	11.1	-11.99	2	7	0	89	510.377	8	↓ MOL2 SDF SMILES Flexibase

1785744

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-methyl-N-phenyl-benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.23	0.61	-13.83	1	6	0	71	459.933	7	↓ MOL2 SDF SMILES Flexibase

1785745

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-ethyl-N-phenyl-benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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)	5.60	0.89	-13.56	1	6	0	71	473.96	8	↓ MOL2 SDF SMILES Flexibase

1785749

Analogs

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Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(2-hydroxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	8.44	-11.35	3	7	0	100	461.905	7	↓ MOL2 SDF SMILES Flexibase

1785750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(3-hydroxyphenyl)benzamide 3-[(4-chloro-2,5-diketo-1-phenet…

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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	-2.31	-16	3	7	0	100	461.905	7	↓ MOL2 SDF SMILES Flexibase

1785752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzamide N-(4-acetylphenyl)-3-[(4-chloro-…

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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)	4.88	11.48	-19.2	2	7	0	97	487.943	8	↓ MOL2 SDF SMILES Flexibase

1785762

Analogs

1953569

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-methyl-este 2-[[3-[(4-chloro-2,5-diketo-1-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)	5.29	1.11	-11.38	2	8	0	106	503.942	9	↓ MOL2 SDF SMILES Flexibase

1785765

Analogs

1953567
1953569
1953581
1953583

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzoyl]amino]benzoic-acid-ethyl-ester 2-[[3-[(4-chloro-2,5-diketo-1-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)	5.66	1.08	-11.09	2	8	0	106	517.969	10	↓ MOL2 SDF SMILES Flexibase

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