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ZINC Item

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19442182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-carbamothioylphenyl)-2-(2-oxopyrrolidin-1-yl)propanamide (2R)-N-(3-carbamothioylphenyl)-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)	0.98	5.24	-33.19	3	5	0	75	291.376	4	↓ MOL2 SDF SMILES Flexibase

19442184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-carbamothioylphenyl)-2-(2-oxopyrrolidin-1-yl)propanamide (2S)-N-(3-carbamothioylphenyl)-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)	0.98	5.25	-26.71	3	5	0	75	291.376	4	↓ MOL2 SDF SMILES Flexibase

20890681

Analogs

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Popular Name: N-(4-bromophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide N-(4-bromophenyl)-2-(2-oxopyrrol…

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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)	2.05	5.46	-17.33	1	4	0	49	297.152	3	↓ MOL2 SDF SMILES Flexibase

61447090

Analogs

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Popular Name: (2S)-1-(2-anilino-2-oxo-ethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(2-anilino-2-oxo-ethyl)-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)	-0.99	5.91	-47.61	1	6	-1	90	261.257	4	↓ MOL2 SDF SMILES Flexibase

61447096

Analogs

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Popular Name: (2R)-1-(2-anilino-2-oxo-ethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(2-anilino-2-oxo-ethyl)-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)	-0.99	5.45	-47.53	1	6	-1	90	261.257	4	↓ MOL2 SDF SMILES Flexibase

61447097

Analogs

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Popular Name: (2S)-1-[2-(2-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-methoxyanilino)-2-o…

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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)	-0.98	5.34	-48.56	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-methoxyanilino)-2-o…

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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)	-0.98	4.91	-49.81	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447101

Analogs

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Popular Name: (2S)-1-[2-(3-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-fluoroanilino)-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)	-0.85	5.97	-45.29	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

61447103

Analogs

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Popular Name: (2R)-1-[2-(3-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-fluoroanilino)-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)	-0.85	5.52	-44.91	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

61447104

Analogs

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Popular Name: (2S)-1-[2-(4-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-chloroanilino)-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)	-0.31	6.42	-45.72	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447107

Analogs

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Popular Name: (2R)-1-[2-(4-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-chloroanilino)-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)	-0.31	5.97	-45.1	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447108

Analogs

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Popular Name: (2S)-1-[2-(3-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-chloroanilino)-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)	-0.33	6.42	-45.21	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-chloroanilino)-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)	-0.33	5.97	-44.83	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-chloroanilino)-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)	-0.36	6.53	-45.93	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-chloroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-chloroanilino)-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)	-0.36	6.1	-46.93	1	6	-1	90	295.702	4	↓ MOL2 SDF SMILES Flexibase

61447118

Analogs

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Popular Name: (2S)-1-[2-(2-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-bromoanilino)-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)	-0.22	6.67	-45.7	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-bromoanilino)-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)	-0.22	6.23	-46.71	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447127

Analogs

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Popular Name: (2S)-1-[2-(2-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-fluoroanilino)-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)	-0.87	6.03	-46.56	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

61447128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-fluoroanilino)-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)	-0.87	5.59	-47.74	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

61447147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-methoxyanilino)-2-o…

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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)	-0.93	5.19	-47.64	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-methoxyanilino)-2-o…

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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)	-0.93	4.74	-47.33	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-methoxyanilino)-2-o…

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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)	-0.95	5.2	-47.66	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3-methoxyanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-methoxyanilino)-2-o…

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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)	-0.95	4.75	-47.67	1	7	-1	99	291.283	5	↓ MOL2 SDF SMILES Flexibase

61447163

Analogs

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Popular Name: (2S)-1-[2-(4-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-bromoanilino)-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)	-0.18	6.53	-45.64	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447165

Analogs

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Popular Name: (2R)-1-[2-(4-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-bromoanilino)-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)	-0.18	6.08	-44.99	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447169

Analogs

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Popular Name: (2S)-1-[2-(3-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-bromoanilino)-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)	-0.20	6.53	-45.11	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447172

Analogs

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Popular Name: (2R)-1-[2-(3-bromoanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-bromoanilino)-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)	-0.20	6.08	-44.73	1	6	-1	90	340.153	4	↓ MOL2 SDF SMILES Flexibase

61447174

Analogs

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Popular Name: (2S)-1-[2-(4-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-methylanilino)-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)	-0.54	6.58	-47.72	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447177

Analogs

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Popular Name: (2R)-1-[2-(4-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-methylanilino)-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)	-0.54	6.13	-47.58	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447180

Analogs

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Popular Name: (2S)-1-[2-(2-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(2-methylanilino)-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)	-0.59	6.81	-47.43	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447183

Analogs

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Popular Name: (2R)-1-[2-(2-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(2-methylanilino)-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)	-0.59	6.33	-47.75	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447185

Analogs

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Popular Name: (2S)-1-[2-(3-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-methylanilino)-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)	-0.56	6.58	-47.5	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447187

Analogs

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Popular Name: (2R)-1-[2-(3-methylanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-methylanilino)-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)	-0.56	6.13	-47.45	1	6	-1	90	275.284	4	↓ MOL2 SDF SMILES Flexibase

61447203

Analogs

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Popular Name: (2S)-1-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-fluoroanilino)-2-ox…

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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)	-0.82	5.98	-46.12	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

61447205

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Popular Name: (2R)-1-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-fluoroanilino)-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)	-0.82	5.52	-45.32	1	6	-1	90	279.247	4	↓ MOL2 SDF SMILES Flexibase

62815803

Analogs

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Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-amino-2,6-dichloro-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)	2.00	4.76	-15.01	3	5	0	75	316.188	3	↓ MOL2 SDF SMILES Flexibase

62815804

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Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-amino-2,6-dichloro-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)	2.00	4.76	-15.24	3	5	0	75	316.188	3	↓ MOL2 SDF SMILES Flexibase

62815855

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Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(3-amino-4-methyl-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)	1.57	4.12	-15.48	3	5	0	75	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815856

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Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(3-amino-4-methyl-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)	1.57	4.13	-15.79	3	5	0	75	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815857

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Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(2-amino-4-methyl-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)	1.57	4.31	-15.3	3	5	0	75	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815858

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Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(2-amino-4-methyl-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)	1.57	4.32	-15.61	3	5	0	75	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815859

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Popular Name: N-(4-amino-2-bromo-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-amino-2-bromo-phenyl)-2-[(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)	1.53	4.13	-13.63	3	5	0	75	326.194	3	↓ MOL2 SDF SMILES Flexibase

62815860

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Popular Name: N-(4-amino-2-bromo-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-amino-2-bromo-phenyl)-2-[(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)	1.53	4.13	-13.86	3	5	0	75	326.194	3	↓ MOL2 SDF SMILES Flexibase

62815865

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Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(2-amino-5-fluoro-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)	1.29	3.71	-18.62	3	5	0	75	265.288	3	↓ MOL2 SDF SMILES Flexibase

62815866

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Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(2-amino-5-fluoro-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)	1.29	3.71	-18.96	3	5	0	75	265.288	3	↓ MOL2 SDF SMILES Flexibase

62815867

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Popular Name: N-(5-amino-2-chloro-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(5-amino-2-chloro-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)	1.40	4	-13.87	3	5	0	75	281.743	3	↓ MOL2 SDF SMILES Flexibase

62815868

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Popular Name: N-(5-amino-2-chloro-phenyl)-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(5-amino-2-chloro-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)	1.40	4	-14.14	3	5	0	75	281.743	3	↓ MOL2 SDF SMILES Flexibase

62815869

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-aminophenyl)-N-methyl-2-[(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)	0.67	5.05	-16.16	2	5	0	67	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815870

Analogs

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(4-aminophenyl)-N-methyl-2-[(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)	0.67	5.05	-16.44	2	5	0	67	261.325	3	↓ MOL2 SDF SMILES Flexibase

62815871

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Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]acetamide N-(2-amino-6-methyl-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)	1.55	4.3	-15.04	3	5	0	75	261.325	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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