ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12233069

Analogs

12233073

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-phenethyl-acetamide 2-(oxo-phenyl-BLAHyl)-N-phenethy…

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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)	2.82	-1.83	-14.26	1	7	0	82	431.521	6	↓ MOL2 SDF SMILES Flexibase

12233073

Analogs

12233069

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-phenethyl-acetamide 2-(oxo-phenyl-BLAHyl)-N-phenethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.82	-1.8	-14.66	1	7	0	82	431.521	6	↓ MOL2 SDF SMILES Flexibase

12233406

Analogs

12233411

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	2.99	-1.09	-12.57	1	7	0	82	449.511	6	↓ MOL2 SDF SMILES Flexibase

12233411

Analogs

12233406

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	2.99	-1.09	-12.64	1	7	0	82	449.511	6	↓ MOL2 SDF SMILES Flexibase

14008223

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(2-methoxyphenyl)ethyl]-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)	2.83	10.5	-15.37	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008225

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(2-methoxyphenyl)ethyl]-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)	2.83	10.48	-15.33	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008227

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	2.47	10.32	-18.73	1	9	0	100	491.573	8	↓ MOL2 SDF SMILES Flexibase

14008230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	2.47	10.33	-18.68	1	9	0	100	491.573	8	↓ MOL2 SDF SMILES Flexibase

14008232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(4-methoxyphenyl)ethyl]-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)	2.88	10.42	-16.02	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(4-methoxyphenyl)ethyl]-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)	2.88	10.44	-16.55	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008470

Analogs

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Popular Name: N-[2-(3-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(3-methoxyphenyl)ethyl]-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)	2.86	10.42	-16.19	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(3-methoxyphenyl)ethyl]-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)	2.86	10.43	-16.2	1	8	0	91	461.547	7	↓ MOL2 SDF SMILES Flexibase

14008486

Analogs

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Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[2-(4-su…

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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)	1.52	6.09	-23.05	3	10	0	142	510.601	7	↓ MOL2 SDF SMILES Flexibase

14008488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxo-phenyl-BLAHyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 2-(oxo-phenyl-BLAHyl)-N-[2-(4-su…

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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)	1.52	6.09	-23.01	3	10	0	142	510.601	7	↓ MOL2 SDF SMILES Flexibase

14010072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(2-methoxyphenyl)ethyl]-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)	3.47	11.16	-15.37	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14010076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(2-methoxyphenyl)ethyl]-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)	3.47	11.14	-15.36	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14010079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	3.11	10.98	-18.7	1	9	0	100	505.6	8	↓ MOL2 SDF SMILES Flexibase

14010082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	3.11	10.99	-18.72	1	9	0	100	505.6	8	↓ MOL2 SDF SMILES Flexibase

14010087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(4-methoxyphenyl)ethyl]-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)	3.52	11.09	-15.92	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14010090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(4-methoxyphenyl)ethyl]-2-(…

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Activity (Go SEA)

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)	3.52	11.1	-16.54	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14010566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(3-methoxyphenyl)ethyl]-2-(…

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Activity (Go SEA)

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)	3.49	11.08	-16.28	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14010570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(3-methoxyphenyl)ethyl]-2-(…

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Activity (Go SEA)

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)	3.49	11.09	-16.18	1	8	0	91	475.574	7	↓ MOL2 SDF SMILES Flexibase

14011029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.69	11.66	-14.03	1	7	0	82	465.966	6	↓ MOL2 SDF SMILES Flexibase

14011032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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Activity (Go SEA)

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)	3.69	11.63	-13.7	1	7	0	82	465.966	6	↓ MOL2 SDF SMILES Flexibase

14011035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.70	11.02	-14.49	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011038

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.70	10.99	-14.66	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011042

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.75	10.93	-15.4	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011045

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.75	10.97	-15.9	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011484

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.72	10.93	-15.72	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011488

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.72	10.93	-15.42	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011846

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.50	11.64	-12.37	1	7	0	82	465.966	6	↓ MOL2 SDF SMILES Flexibase

14011848

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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)	3.50	11.65	-12.46	1	7	0	82	465.966	6	↓ MOL2 SDF SMILES Flexibase

14011850

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	11.01	-12.97	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011852

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	11	-13.53	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011854

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	10.94	-14.16	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14011856

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	10.94	-14.21	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14012146

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	10.95	-14.44	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14012148

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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	10.95	-14.35	1	8	0	91	495.992	7	↓ MOL2 SDF SMILES Flexibase

14012465

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.00	10.54	-13.24	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14012467

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.00	10.54	-13.75	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14012469

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	2.63	10.38	-17.24	1	9	0	100	509.563	8	↓ MOL2 SDF SMILES Flexibase

14012471

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	2.63	10.39	-17.1	1	9	0	100	509.563	8	↓ MOL2 SDF SMILES Flexibase

14012474

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.04	10.49	-14.34	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14012476

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.04	10.5	-14.43	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14012793

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.02	10.49	-14.62	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14012795

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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)	3.02	10.5	-14.54	1	8	0	91	479.537	7	↓ MOL2 SDF SMILES Flexibase

14013188

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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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	12.32	-14.16	1	7	0	82	459.575	6	↓ MOL2 SDF SMILES Flexibase

14013190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-phenethyl-acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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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	12.32	-14.27	1	7	0	82	459.575	6	↓ MOL2 SDF SMILES Flexibase

14013192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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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)	3.87	11.71	-15.43	1	8	0	91	489.601	7	↓ MOL2 SDF SMILES Flexibase

14013194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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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)	3.87	11.68	-15.46	1	8	0	91	489.601	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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