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ZINC Item

Suppliers, Protomers, & Similar Substances

8010047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(4-methyl-3-sulfamoyl-phenyl)carbamoylmethyl]benzamide 2-fluoro-N-[(4-methyl-3-sulfamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.49	-6.89	-19.24	4	7	0	118	365.386	5	↓ MOL2 SDF SMILES Flexibase

8010092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4-methyl-3-sulfamoyl-phenyl)carbamoylmethyl]benzamide 3-chloro-N-[(4-methyl-3-sulfamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	-7.67	-16.71	4	7	0	118	381.841	5	↓ MOL2 SDF SMILES Flexibase

8010101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(4-methyl-3-sulfamoyl-phenyl)carbamoylmethyl]benzamide 4-ethoxy-N-[(4-methyl-3-sulfamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	-7.27	-17.33	4	8	0	127	391.449	7	↓ MOL2 SDF SMILES Flexibase

8010103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(4-methyl-3-sulfamoyl-phenyl)carbamoylmethyl]benzamide 3,4-dimethyl-N-[(4-methyl-3-sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	-6.95	-16.31	4	7	0	118	375.45	5	↓ MOL2 SDF SMILES Flexibase

8010106

Analogs

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Popular Name: 4-butoxy-N-[(4-methyl-3-sulfamoyl-phenyl)carbamoylmethyl]benzamide 4-butoxy-N-[(4-methyl-3-sulfamoy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	-7.08	-17.01	4	8	0	127	419.503	9	↓ MOL2 SDF SMILES Flexibase

29143923

Analogs

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Popular Name: 3,4,5-trimethoxy-N-[2-[3-(methoxymethyl)anilino]-2-oxo-ethyl]benzamide 3,4,5-trimethoxy-N-[2-[3-(methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	3.84	-15.27	2	8	0	95	388.42	9	↓ MOL2 SDF SMILES Flexibase

45415841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-3-cyano-N-methyl-benzamide N-(2-anilino-2-oxo-ethyl)-3-cyan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	7.38	-21.73	1	5	0	73	293.326	4	↓ MOL2 SDF SMILES Flexibase

45415859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-anilino-2-oxo-ethyl)-2-chloro-5-(dimethylsulfamoyl)-N-methyl-benzamide N-(2-anilino-2-oxo-ethyl)-2-chlo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	5.5	-20.76	1	7	0	87	409.895	6	↓ MOL2 SDF SMILES Flexibase

51482363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-[2-[3-(hydroxymethyl)anilino]-2-oxo-ethyl]benzamide 3,5-difluoro-N-[2-[3-(hydroxymet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	2.46	-12.07	3	5	0	78	320.295	5	↓ MOL2 SDF SMILES Flexibase

52950083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(isopropylcarbamoylamino)-N-methyl-benzamide N-[2-(2,6-dimethylanilino)-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	8.03	-18.08	3	7	0	91	396.491	6	↓ MOL2 SDF SMILES Flexibase

52951861

Analogs

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Popular Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-2-(isopropylcarbamoylamino)-N-methyl-benzamide N-[2-(2,3-dimethylanilino)-2-oxo…

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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)	3.01	7.8	-18.78	3	7	0	91	396.491	6	↓ MOL2 SDF SMILES Flexibase

52955357

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	4.91	-16.23	3	8	0	114	383.404	8	↓ MOL2 SDF SMILES Flexibase

17973183

Analogs

6434170

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 2-chloro-N-[2-[(2,6-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	9.35	-18.14	1	4	0	49	330.815	4	↓ MOL2 SDF SMILES Flexibase

17973209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-3-nitro-benzamide 4-amino-N-[2-[(2,6-dimethylpheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	7.37	-23.6	3	8	0	121	356.382	5	↓ MOL2 SDF SMILES Flexibase

17973327

Analogs

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Popular Name: 2-chloro-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-5-methylsulfanyl-benzamide 2-chloro-N-[2-[(2,6-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	10.24	-15.35	1	4	0	49	376.909	5	↓ MOL2 SDF SMILES Flexibase

17973501

Analogs

7405371

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-terephthalamide N-[2-[(2,6-dimethylphenyl)amino]…

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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)	0.76	5.31	-19.22	3	6	0	93	339.395	5	↓ MOL2 SDF SMILES Flexibase

17973549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide N-[2-[(2,6-dimethylphenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	6.5	-26.17	2	7	0	96	417.531	6	↓ MOL2 SDF SMILES Flexibase

17973708

Analogs

25068046

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-4-fluoro-N-methyl-benzamide 2-bromo-N-[2-[(2,6-dimethylpheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	9.2	-16.34	1	4	0	49	393.256	4	↓ MOL2 SDF SMILES Flexibase

17973711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-5-fluoro-N-methyl-benzamide 2,4-dichloro-N-[2-[(2,6-dimethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	9.59	-14.06	1	4	0	49	383.25	4	↓ MOL2 SDF SMILES Flexibase

17973755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-5-ethoxy-4-methoxy-N-methyl-2-nitro-benzamide N-[2-[(2,6-dimethylphenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	10.27	-22.48	1	9	0	114	415.446	8	↓ MOL2 SDF SMILES Flexibase

17973935

Analogs

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Popular Name: 4-bromo-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-2-fluoro-N-methyl-benzamide 4-bromo-N-[2-[(2,6-dimethylpheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	9.23	-18.7	1	4	0	49	393.256	4	↓ MOL2 SDF SMILES Flexibase

17974016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyloxy-N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-3-methoxy-N-methyl-benzamide 4-allyloxy-N-[2-[(2,6-dimethylph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	9.31	-18.75	1	6	0	68	382.46	8	↓ MOL2 SDF SMILES Flexibase

17974093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-5-(ethylsulfamoyl)-N,2-dimethyl-benzamide N-[2-[(2,6-dimethylphenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	6.3	-18.91	2	7	0	96	417.531	7	↓ MOL2 SDF SMILES Flexibase

17974124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-4-(methylsulfamoyl)benzamide N-[2-[(2,6-dimethylphenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.01	4.7	-21.39	2	7	0	96	389.477	6	↓ MOL2 SDF SMILES Flexibase

17974131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-3-hydroxy-N-methyl-4-nitro-benzamide N-[2-[(2,6-dimethylphenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	7.3	-19.96	2	8	0	115	357.366	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.61	8.28	-59.93	1	8	-1	118	356.358	5	↓ MOL2 SDF SMILES Flexibase

17974209

Analogs

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-4-ethoxy-3-methoxy-N-methyl-benzamide N-[2-[[4-chloro-3-(trifluorometh…

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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)	3.60	8.56	-18.79	1	6	0	68	444.837	8	↓ MOL2 SDF SMILES Flexibase

17974284

Analogs

25259302
25259307
25779825
6309833
6309837

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-benzamide N-[2-[[4-chloro-3-(trifluorometh…

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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)	3.58	8.41	-15.47	1	4	0	49	370.758	5	↓ MOL2 SDF SMILES Flexibase

17974286

Analogs

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Popular Name: 3-bromo-N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-benzamide 3-bromo-N-[2-[[4-chloro-3-(trifl…

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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	9.01	-16.25	1	4	0	49	449.654	5	↓ MOL2 SDF SMILES Flexibase

17974330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N,3,4-trimethyl-benzamide N-[2-[[4-chloro-3-(trifluorometh…

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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)	4.40	9.66	-15.8	1	4	0	49	398.812	5	↓ MOL2 SDF SMILES Flexibase

17974367

Analogs

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-4-(methoxymethyl)-N-methyl-benzamide N-[2-[[4-chloro-3-(trifluorometh…

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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)	3.53	8.15	-15.96	1	5	0	59	414.811	7	↓ MOL2 SDF SMILES Flexibase

17974623

Analogs

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Popular Name: 5-chloro-N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-2-fluoro-N-methyl-benzamide 5-chloro-N-[2-[[4-chloro-3-(trif…

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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)	4.35	8.95	-16.02	1	4	0	49	423.193	5	↓ MOL2 SDF SMILES Flexibase

17974699

Analogs

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-4-(isopropylsulfamoyl)-N-methyl-benzam N-[2-[[4-chloro-3-(trifluorometh…

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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)	3.32	6.01	-19.77	2	7	0	96	491.919	8	↓ MOL2 SDF SMILES Flexibase

17974774

Analogs

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Popular Name: 5-chloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-2-methoxy-N-methyl-benzamide 5-chloro-N-[2-[(5-chloro-2-metho…

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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	7.65	-18.13	1	6	0	68	397.258	6	↓ MOL2 SDF SMILES Flexibase

17974907

Analogs

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Popular Name: 2-bromo-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-5-methoxy-N-methyl-benzamide 2-bromo-N-[2-[(5-chloro-2-methox…

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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)	3.53	6.85	-17.21	1	6	0	68	441.709	6	↓ MOL2 SDF SMILES Flexibase

17975134

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-2-nitro-benzamide N-[2-[(5-chloro-2-methoxy-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)	2.65	8.52	-28.17	1	8	0	104	377.784	6	↓ MOL2 SDF SMILES Flexibase

17975143

Analogs

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Popular Name: 2-chloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 2-chloro-N-[2-[(5-chloro-2-metho…

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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)	3.37	7.39	-18.76	1	5	0	59	367.232	5	↓ MOL2 SDF SMILES Flexibase

17975160

Analogs

8312802

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Popular Name: 4-tert-butyl-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 4-tert-butyl-N-[2-[(5-chloro-2-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)	4.44	9.25	-16.17	1	5	0	59	388.895	6	↓ MOL2 SDF SMILES Flexibase

17975164

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-4-nitro-benzamide N-[2-[(5-chloro-2-methoxy-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)	2.70	7.65	-18.46	1	8	0	104	377.784	6	↓ MOL2 SDF SMILES Flexibase

17975176

Analogs

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Popular Name: 2,4-dichloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 2,4-dichloro-N-[2-[(5-chloro-2-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)	4.02	7.94	-16.97	1	5	0	59	401.677	5	↓ MOL2 SDF SMILES Flexibase

17975222

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N,2-dimethyl-benzamide N-[2-[(5-chloro-2-methoxy-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)	3.14	7.54	-15.82	1	5	0	59	346.814	5	↓ MOL2 SDF SMILES Flexibase

17975228

Analogs

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Popular Name: 2,3-dichloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 2,3-dichloro-N-[2-[(5-chloro-2-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)	4.00	7.9	-20.4	1	5	0	59	401.677	5	↓ MOL2 SDF SMILES Flexibase

17975238

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-2-ethoxy-N-methyl-benzamide N-[2-[(5-chloro-2-methoxy-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)	3.67	7.84	-20.22	1	6	0	68	376.84	7	↓ MOL2 SDF SMILES Flexibase

17975244

Analogs

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Popular Name: 5-bromo-2-chloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-benzamide 5-bromo-2-chloro-N-[2-[(5-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)	4.15	8.06	-15.84	1	5	0	59	446.128	5	↓ MOL2 SDF SMILES Flexibase

17975256

Analogs

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Popular Name: 2-chloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-5-methylsulfanyl-benzamide 2-chloro-N-[2-[(5-chloro-2-metho…

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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)	3.78	8.45	-16.07	1	5	0	59	413.326	6	↓ MOL2 SDF SMILES Flexibase

17975263

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N,2,4-trimethyl-benzamide N-[2-[(5-chloro-2-methoxy-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)	3.56	8.19	-15.74	1	5	0	59	360.841	5	↓ MOL2 SDF SMILES Flexibase

17975265

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N-methyl-4-(trifluoromethoxy)benzamide N-[2-[(5-chloro-2-methoxy-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)	3.71	6.73	-17.07	1	6	0	68	416.783	7	↓ MOL2 SDF SMILES Flexibase

17975284

Analogs

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Popular Name: N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-N,2-dimethyl-3-nitro-benzamide N-[2-[(5-chloro-2-methoxy-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)	3.05	8.14	-21.8	1	8	0	104	391.811	6	↓ MOL2 SDF SMILES Flexibase

17975302

Analogs

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Popular Name: 2-chloro-N-[2-[(5-chloro-2-methoxy-phenyl)amino]-2-oxo-ethyl]-4-fluoro-N-methyl-benzamide 2-chloro-N-[2-[(5-chloro-2-metho…

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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)	3.51	7.51	-17.87	1	5	0	59	385.222	5	↓ MOL2 SDF SMILES Flexibase

19433356

Analogs

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Popular Name: 4-amino-N-[2-(o-tolylamino)-2-oxo-ethyl]benzamide 4-amino-N-[2-(o-tolylamino)-2-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	3.61	-14.03	4	5	0	84	283.331	4	↓ MOL2 SDF SMILES Flexibase

36101642

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-2-bromo-benzamide N-(2-anilino-2-oxo-ethyl)-2-brom…

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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)	3.06	5.62	-10.92	2	4	0	58	333.185	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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