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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

797

Analogs

7997443
38420578
49033619

Draw Identity 99% 90% 80% 70%

Popular Name: Tranilast Tranilast

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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)	3.16	7.78	-49.36	1	6	-1	88	326.328	6	↓ MOL2 SDF SMILES Flexibase

6050876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(hexylsulfamoyl)phenyl]-3-phenyl-prop-2-enamide N-[4-(hexylsulfamoyl)phenyl]-3-p…

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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	7.81	-15.18	2	5	0	75	386.517	10	↓ MOL2 SDF SMILES Flexibase

6051204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-butoxy-3-methoxy-phenyl)-2-cyano-N-(m-tolyl)prop-2-enamide 3-(4-butoxy-3-methoxy-phenyl)-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)	4.70	10.46	-10.46	1	5	0	71	364.445	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.88	9.02	-42.4	0	5	-1	78	363.437	8	↓ MOL2 SDF SMILES Flexibase

6051224

Analogs

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Popular Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-N-(4-methoxyphenyl)-prop-2-enamide 3-(4-butoxy-3-ethoxy-phenyl)-2-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)	4.71	10	-11.61	1	6	0	81	394.471	10	↓ MOL2 SDF SMILES Flexibase

8009919

Analogs

8010171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-phenyl-prop-2-enamide N-(4-methyl-3-sulfamoyl-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)	2.54	-5	-18.24	3	5	0	89	316.382	4	↓ MOL2 SDF SMILES Flexibase

8009939

Analogs

19618553

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(3,4-dimethoxyphenyl)-N-(4-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)	2.18	-4.62	-23.93	3	7	0	107	376.434	6	↓ MOL2 SDF SMILES Flexibase

8009956

Analogs

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Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-[3-(trifluoromethyl)phenyl]-prop-2-enamide N-(4-methyl-3-sulfamoyl-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)	3.41	-2.81	-21.96	3	5	0	89	384.379	5	↓ MOL2 SDF SMILES Flexibase

8009994

Analogs

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Popular Name: 3-(3-fluorophenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(3-fluorophenyl)-N-(4-methyl-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	3.49	-21.82	3	5	0	89	334.372	4	↓ MOL2 SDF SMILES Flexibase

8009996

Analogs

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Popular Name: 3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(3-chlorophenyl)-N-(4-methyl-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	3.94	-20.76	3	5	0	89	350.827	4	↓ MOL2 SDF SMILES Flexibase

8009998

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(2,4-dimethoxyphenyl)-N-(4-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)	2.40	2.09	-23.72	3	7	0	108	376.434	6	↓ MOL2 SDF SMILES Flexibase

8010008

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(4-fluorophenyl)-N-(4-methyl-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	-4.24	-20.4	3	5	0	89	334.372	4	↓ MOL2 SDF SMILES Flexibase

8010022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoyl-phenyl)-prop-2-enamide 3-(2,3-dimethoxyphenyl)-N-(4-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)	2.18	2.78	-25.5	3	7	0	108	376.434	6	↓ MOL2 SDF SMILES Flexibase

10506229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propenamide, 3-(2-chlorophenyl)-N-[2-(2-ethoxyethoxy)phenyl]- 2-propenamide, 3-(2-chlorophenyl…

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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)	4.19	0.04	-11.55	1	4	0	47	345.826	8	↓ MOL2 SDF SMILES Flexibase

10506236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propenamide, N-[2-(2-ethoxyethoxy)phenyl]-3-(2-methoxyphenyl)- 2-propenamide, N-[2-(2-ethoxyeth…

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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)	3.57	0.3	-13.27	1	5	0	56	341.407	9	↓ MOL2 SDF SMILES Flexibase

10506296

Analogs

8061023

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propenamide, N-[2-(2-ethoxyethoxy)phenyl]-3-phenyl- 2-propenamide, N-[2-(2-ethoxyeth…

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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)	3.74	0.18	-10.48	1	4	0	47	311.381	8	↓ MOL2 SDF SMILES Flexibase

10506744

Analogs

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Popular Name: N-(4-acetylphenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(4-acetylphenyl)-3-[4-(difluor…

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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)	3.28	2.9	-27.49	1	8	0	110	406.341	8	↓ MOL2 SDF SMILES Flexibase

10507100

Analogs

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Popular Name: N-(2-bromophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2-bromophenyl)-3-[4-(difluoro…

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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)	4.14	1.87	-17.14	1	7	0	93	443.2	7	↓ MOL2 SDF SMILES Flexibase

10507353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(3-methoxyphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.41	2.49	-23.97	1	8	0	102	394.33	8	↓ MOL2 SDF SMILES Flexibase

10507817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2-chlorophenyl)-3-[4-(difluor…

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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)	4.01	2.43	-17.3	1	7	0	93	398.749	7	↓ MOL2 SDF SMILES Flexibase

10507881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,4,6-trimethylphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.64	3.7	-19.92	1	7	0	93	406.385	7	↓ MOL2 SDF SMILES Flexibase

10507963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2,5-dichlorophenyl)-3-[4-(dif…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	2.35	-17.96	1	7	0	93	433.194	7	↓ MOL2 SDF SMILES Flexibase

10508022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(3,5-dichlorophenyl)prop-2-enoylamino]-N-methyl-benzamide 2-[3-(3,5-dichlorophenyl)prop-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)	3.90	-1.03	-10.74	2	4	0	58	349.217	4	↓ MOL2 SDF SMILES Flexibase

10508144

Analogs

10660585

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2-ethyl-6-methyl-phenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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	3.48	-19.9	1	7	0	93	406.385	8	↓ MOL2 SDF SMILES Flexibase

10508188

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(3-methylsulfanylphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.79	2.11	-23.62	1	7	0	93	410.398	8	↓ MOL2 SDF SMILES Flexibase

10508344

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2-iodophenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	4.41	1.83	-16.59	1	7	0	93	490.2	7	↓ MOL2 SDF SMILES Flexibase

10509044

Analogs

10513140

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,6-diisopropylphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	4.42	4.27	-18.51	1	7	0	93	448.466	9	↓ MOL2 SDF SMILES Flexibase

10509097

Analogs

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Popular Name: N-(3-acetylaminophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(3-acetylaminophenyl)-3-[4-(di…

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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	1.37	-26.31	2	9	0	122	421.356	8	↓ MOL2 SDF SMILES Flexibase

10509156

Analogs

25511563

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Popular Name: N-(4-chloro-2-methyl-phenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(4-chloro-2-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	2.89	-20.52	1	7	0	93	412.776	7	↓ MOL2 SDF SMILES Flexibase

10510069

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2-chloro-4-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	2.73	-16.97	1	7	0	93	412.776	7	↓ MOL2 SDF SMILES Flexibase

10510524

Analogs

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Popular Name: N-(4-cyanophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(4-cyanophenyl)-3-[4-(difluoro…

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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)	3.13	3.87	-23.62	1	8	0	117	389.314	7	↓ MOL2 SDF SMILES Flexibase

10510665

Analogs

10513311

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2-isopropylphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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	3.56	-19.56	1	7	0	93	406.385	8	↓ MOL2 SDF SMILES Flexibase

10510751

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,3,4-trifluorophenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.73	4.7	-17.25	1	7	0	93	418.274	7	↓ MOL2 SDF SMILES Flexibase

10510761

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-3-(3-nitrophenyl)-prop-2-enamide N-(4-methylsulfanylphenyl)-3-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	0.8	-17.07	1	5	0	74	314.366	5	↓ MOL2 SDF SMILES Flexibase

10510849

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-3-(4-nitrophenyl)-prop-2-enamide N-(4-methylsulfanylphenyl)-3-(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)	3.86	0.71	-14.89	1	5	0	74	314.366	5	↓ MOL2 SDF SMILES Flexibase

10510875

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,5-difluorophenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.63	3.99	-19.17	1	7	0	93	400.284	7	↓ MOL2 SDF SMILES Flexibase

10510991

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(4-bromo-2-fluoro-phenyl)-3-[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)	4.28	2.41	-16.49	1	7	0	93	461.19	7	↓ MOL2 SDF SMILES Flexibase

10511073

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	3.15	-16.56	1	7	0	93	416.739	7	↓ MOL2 SDF SMILES Flexibase

10511092

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-prop-2-enamide N-(2,3-dichlorophenyl)-3-[4-(dif…

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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	2.36	-16.6	1	7	0	93	433.194	7	↓ MOL2 SDF SMILES Flexibase

10511193

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-3-phenyl-prop-2-enamide N-(4-methylsulfonylphenyl)-3-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	-3.01	-16.21	1	4	0	63	301.367	4	↓ MOL2 SDF SMILES Flexibase

10511217

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-3-(3-nitrophenyl)-prop-2-enamide N-(4-methylsulfonylphenyl)-3-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	-2.47	-24.71	1	7	0	109	346.364	5	↓ MOL2 SDF SMILES Flexibase

10511220

Analogs

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Popular Name: dimethyl 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)	3.65	4.74	-26.14	1	11	0	146	480.376	11	↓ MOL2 SDF SMILES Flexibase

10511313

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-prop-2-enamide N-(4-methylsulfonylphenyl)-3-(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)	2.30	-2.57	-24.04	1	7	0	109	346.364	5	↓ MOL2 SDF SMILES Flexibase

10511329

Analogs

24003606
31961101

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Popular Name: 3-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)-prop-2-enamide 3-(2-chlorophenyl)-N-(4-methylsu…

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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)	2.79	-3.15	-19.82	1	4	0	63	335.812	4	↓ MOL2 SDF SMILES Flexibase

10511417

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(3,5-dimethoxyphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.42	2.53	-23.41	1	9	0	111	424.356	9	↓ MOL2 SDF SMILES Flexibase

10512044

Analogs

78751110

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Popular Name: N-(2-methylsulfonylphenyl)-3-phenyl-prop-2-enamide N-(2-methylsulfonylphenyl)-3-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	-2.17	-12.59	1	4	0	63	301.367	4	↓ MOL2 SDF SMILES Flexibase

10512073

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-3-(3-nitrophenyl)-prop-2-enamide N-(2-methylsulfonylphenyl)-3-(3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	-1.65	-18.82	1	7	0	109	346.364	5	↓ MOL2 SDF SMILES Flexibase

10512163

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-3-(4-nitrophenyl)-prop-2-enamide N-(2-methylsulfonylphenyl)-3-(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)	2.69	-1.73	-18.81	1	7	0	109	346.364	5	↓ MOL2 SDF SMILES Flexibase

10512173

Analogs

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Popular Name: 3-(2-chlorophenyl)-N-(2-methylsulfonylphenyl)-prop-2-enamide 3-(2-chlorophenyl)-N-(2-methylsu…

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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)	3.18	-2.31	-14.07	1	4	0	63	335.812	4	↓ MOL2 SDF SMILES Flexibase

10512260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2,5-dimethoxyphenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.42	2.63	-22.19	1	9	0	111	424.356	9	↓ MOL2 SDF SMILES Flexibase

10513140

Analogs

10509044

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-(2-isopropyl-6-methyl-phenyl)-prop-2-enamide 3-[4-(difluoromethoxy)-5-methoxy…

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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)	3.83	3.91	-19.47	1	7	0	93	420.412	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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