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ZINC Item

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62816849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(4-iodophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-iodophenyl)-2-oxo-e…

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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)	2.77	8.09	-12.21	0	3	0	37	343.164	3	↓ MOL2 SDF SMILES Flexibase

62816850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(4-iodophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-iodophenyl)-2-oxo-e…

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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)	2.77	8.09	-12.49	0	3	0	37	343.164	3	↓ MOL2 SDF SMILES Flexibase

62816851

Analogs

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Popular Name: (4R)-1-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-chloro-4-methoxy-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)	2.35	6.86	-16.19	0	4	0	47	281.739	4	↓ MOL2 SDF SMILES Flexibase

62816852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-chloro-4-methoxy-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)	2.35	6.86	-16.44	0	4	0	47	281.739	4	↓ MOL2 SDF SMILES Flexibase

62816859

Analogs

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Popular Name: 4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetyl]benzonitrile 4-[2-[(4R)-4-methyl-2-oxo-pyrrol…

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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)	1.44	7.39	-15.27	0	4	0	61	242.278	3	↓ MOL2 SDF SMILES Flexibase

62816860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetyl]benzonitrile 4-[2-[(4S)-4-methyl-2-oxo-pyrrol…

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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)	1.44	7.39	-15.5	0	4	0	61	242.278	3	↓ MOL2 SDF SMILES Flexibase

62816861

Analogs

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Popular Name: (4R)-1-[2-(3-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-fluorophenyl)-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)	1.83	7.06	-15.32	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-fluorophenyl)-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)	1.83	7.06	-15.65	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-fluoro-4-methoxy-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)	1.84	6.39	-17.46	0	4	0	47	265.284	4	↓ MOL2 SDF SMILES Flexibase

62816864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-fluoro-4-methoxy-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)	1.84	6.38	-17.76	0	4	0	47	265.284	4	↓ MOL2 SDF SMILES Flexibase

62816865

Analogs

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Popular Name: (4R)-1-[2-(2,4-difluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2,4-difluorophenyl)-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)	1.94	7.14	-16.17	0	3	0	37	253.248	3	↓ MOL2 SDF SMILES Flexibase

62816866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(2,4-difluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2,4-difluorophenyl)-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)	1.94	7.14	-16.49	0	3	0	37	253.248	3	↓ MOL2 SDF SMILES Flexibase

62816869

Analogs

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Popular Name: (4R)-1-[2-(2-bromophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2-bromophenyl)-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)	2.45	7.62	-14.3	0	3	0	37	296.164	3	↓ MOL2 SDF SMILES Flexibase

62816870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(2-bromophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2-bromophenyl)-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)	2.45	7.62	-14.56	0	3	0	37	296.164	3	↓ MOL2 SDF SMILES Flexibase

62816871

Analogs

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Popular Name: (4R)-1-[2-(3-chlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-chlorophenyl)-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)	2.34	7.5	-14.41	0	3	0	37	251.713	3	↓ MOL2 SDF SMILES Flexibase

62816872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-chlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-chlorophenyl)-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)	2.34	7.5	-14.72	0	3	0	37	251.713	3	↓ MOL2 SDF SMILES Flexibase

62816873

Analogs

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Popular Name: (4R)-4-methyl-1-[2-oxo-2-(p-tolyl)ethyl]pyrrolidin-2-one (4R)-4-methyl-1-[2-oxo-2-(p-toly…

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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)	2.14	7.66	-13.28	0	3	0	37	231.295	3	↓ MOL2 SDF SMILES Flexibase

62816874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-[2-oxo-2-(p-tolyl)ethyl]pyrrolidin-2-one (4S)-4-methyl-1-[2-oxo-2-(p-toly…

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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)	2.14	7.67	-13.56	0	3	0	37	231.295	3	↓ MOL2 SDF SMILES Flexibase

62816875

Analogs

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Popular Name: (4R)-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-methoxyphenyl)-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)	1.75	6.31	-13.78	0	4	0	47	247.294	4	↓ MOL2 SDF SMILES Flexibase

62816876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-methoxyphenyl)-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)	1.75	6.31	-14.07	0	4	0	47	247.294	4	↓ MOL2 SDF SMILES Flexibase

62816877

Analogs

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Popular Name: (4R)-4-methyl-1-phenacyl-pyrrolidin-2-one (4R)-4-methyl-1-phenacyl-pyrroli…

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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)	1.69	6.99	-13.38	0	3	0	37	217.268	3	↓ MOL2 SDF SMILES Flexibase

62816878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-phenacyl-pyrrolidin-2-one (4S)-4-methyl-1-phenacyl-pyrroli…

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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)	1.69	6.99	-13.7	0	3	0	37	217.268	3	↓ MOL2 SDF SMILES Flexibase

62816879

Analogs

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Popular Name: (4R)-1-[2-(3-bromophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-bromophenyl)-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)	2.48	7.61	-14.38	0	3	0	37	296.164	3	↓ MOL2 SDF SMILES Flexibase

62816880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-bromophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-bromophenyl)-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)	2.48	7.61	-14.65	0	3	0	37	296.164	3	↓ MOL2 SDF SMILES Flexibase

62816881

Analogs

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Popular Name: (4R)-1-[2-(2-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2-fluorophenyl)-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)	1.80	7.07	-17.3	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816882

Analogs

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Popular Name: (4S)-1-[2-(2-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2-fluorophenyl)-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)	1.80	7.07	-17.6	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816885

Analogs

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Popular Name: (4R)-1-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2,4-dichlorophenyl)-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)	2.97	8.02	-13.69	0	3	0	37	286.158	3	↓ MOL2 SDF SMILES Flexibase

62816886

Analogs

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Popular Name: (4S)-1-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2,4-dichlorophenyl)-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)	2.97	8.02	-13.99	0	3	0	37	286.158	3	↓ MOL2 SDF SMILES Flexibase

62816889

Analogs

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Popular Name: (4R)-1-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-chlorophenyl)-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)	2.37	7.51	-12.51	0	3	0	37	251.713	3	↓ MOL2 SDF SMILES Flexibase

62816890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-chlorophenyl)-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)	2.37	7.51	-12.77	0	3	0	37	251.713	3	↓ MOL2 SDF SMILES Flexibase

62816891

Analogs

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Popular Name: (4R)-1-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-fluorophenyl)-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)	1.85	7.06	-12.96	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816892

Analogs

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Popular Name: (4S)-1-[2-(4-fluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-fluorophenyl)-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)	1.85	7.06	-13.18	0	3	0	37	235.258	3	↓ MOL2 SDF SMILES Flexibase

62816893

Analogs

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Popular Name: (4R)-1-[2-(2,5-difluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2,5-difluorophenyl)-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)	1.94	7.14	-14.39	0	3	0	37	253.248	3	↓ MOL2 SDF SMILES Flexibase

62816894

Analogs

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Popular Name: (4S)-1-[2-(2,5-difluorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2,5-difluorophenyl)-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)	1.94	7.14	-14.67	0	3	0	37	253.248	3	↓ MOL2 SDF SMILES Flexibase

62816895

Analogs

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Popular Name: (4R)-4-methyl-1-[2-oxo-2-(4-propylphenyl)ethyl]pyrrolidin-2-one (4R)-4-methyl-1-[2-oxo-2-(4-prop…

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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	9.2	-12.93	0	3	0	37	259.349	5	↓ MOL2 SDF SMILES Flexibase

62816896

Analogs

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Popular Name: (4S)-4-methyl-1-[2-oxo-2-(4-propylphenyl)ethyl]pyrrolidin-2-one (4S)-4-methyl-1-[2-oxo-2-(4-prop…

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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	9.21	-13.21	0	3	0	37	259.349	5	↓ MOL2 SDF SMILES Flexibase

62816897

Analogs

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Popular Name: (4R)-4-methyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrrolidin-2-one (4R)-4-methyl-1-[2-oxo-2-(2,4,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	8.89	-12.16	0	3	0	37	259.349	3	↓ MOL2 SDF SMILES Flexibase

62816898

Analogs

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Popular Name: (4S)-4-methyl-1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrrolidin-2-one (4S)-4-methyl-1-[2-oxo-2-(2,4,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	8.9	-12.37	0	3	0	37	259.349	3	↓ MOL2 SDF SMILES Flexibase

62816899

Analogs

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Popular Name: (4R)-4-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-2-one (4R)-4-methyl-1-[2-oxo-2-(2,4,6-…

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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)	2.89	8.94	-12.3	0	3	0	37	259.349	3	↓ MOL2 SDF SMILES Flexibase

62816900

Analogs

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Popular Name: (4S)-4-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-2-one (4S)-4-methyl-1-[2-oxo-2-(2,4,6-…

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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)	2.89	8.97	-12.57	0	3	0	37	259.349	3	↓ MOL2 SDF SMILES Flexibase

62816901

Analogs

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Popular Name: (4R)-1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-ethoxyphenyl)-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)	2.12	7.22	-13.57	0	4	0	47	261.321	5	↓ MOL2 SDF SMILES Flexibase

62816902

Analogs

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Popular Name: (4S)-1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-ethoxyphenyl)-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)	2.12	7.23	-13.79	0	4	0	47	261.321	5	↓ MOL2 SDF SMILES Flexibase

62816903

Analogs

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Popular Name: (4R)-1-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(5-fluoro-2-methoxy-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)	1.84	7.62	-14.61	0	4	0	47	265.284	4	↓ MOL2 SDF SMILES Flexibase

62816904

Analogs

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Popular Name: (4S)-1-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(5-fluoro-2-methoxy-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)	1.84	7.62	-14.84	0	4	0	47	265.284	4	↓ MOL2 SDF SMILES Flexibase

62816905

Analogs

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Popular Name: (4R)-4-methyl-1-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl]pyrrolidin-2-one (4R)-4-methyl-1-[2-(4-methylsulf…

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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)	2.12	8.01	-13.17	0	3	0	37	263.362	4	↓ MOL2 SDF SMILES Flexibase

62816906

Analogs

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Popular Name: (4S)-4-methyl-1-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl]pyrrolidin-2-one (4S)-4-methyl-1-[2-(4-methylsulf…

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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)	2.12	8.01	-13.48	0	3	0	37	263.362	4	↓ MOL2 SDF SMILES Flexibase

62816913

Analogs

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Popular Name: (4R)-1-[2-(2-methoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2-methoxyphenyl)-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)	1.70	7.56	-16.36	0	4	0	47	247.294	4	↓ MOL2 SDF SMILES Flexibase

62816914

Analogs

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Popular Name: (4S)-1-[2-(2-methoxyphenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2-methoxyphenyl)-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)	1.70	7.56	-16.66	0	4	0	47	247.294	4	↓ MOL2 SDF SMILES Flexibase

62816915

Analogs

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Popular Name: (4R)-1-[2-(2,5-dichlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2,5-dichlorophenyl)-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)	2.97	8.03	-12.21	0	3	0	37	286.158	3	↓ MOL2 SDF SMILES Flexibase

62816916

Analogs

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Popular Name: (4S)-1-[2-(2,5-dichlorophenyl)-2-oxo-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2,5-dichlorophenyl)-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)	2.97	8.03	-12.42	0	3	0	37	286.158	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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