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ZINC Item

Suppliers, Protomers, & Similar Substances

8271619

Analogs

8271624
9341963
9341966

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide N-allyl-1-(2-methoxy-5-methyl-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)	1.58	5.45	-15.32	1	5	0	59	288.347	5	↓ MOL2 SDF SMILES Flexibase

8271624

Analogs

9341963
9341966
8271619

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide N-allyl-1-(2-methoxy-5-methyl-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)	1.58	5.46	-17.6	1	5	0	59	288.347	5	↓ MOL2 SDF SMILES Flexibase

8271626

Analogs

8271630

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxamide N-allyl-1-(5-chloro-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)	1.81	-0.48	-13.73	1	5	0	58	308.765	5	↓ MOL2 SDF SMILES Flexibase

44243142

Analogs

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Popular Name: 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-isopropyl-urea 1-[2-chloro-5-(2-oxopyrrolidin-1…

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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)	2.09	5.43	-10.91	2	5	0	61	295.77	3	↓ MOL2 SDF SMILES Flexibase

8980477

Analogs

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Popular Name: diethyl diethyl

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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	1.61	-18.12	1	9	0	111	392.408	11	↓ MOL2 SDF SMILES Flexibase

8981139

Analogs

8981145

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Popular Name: 4-bromo-N-[[1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]butanamide 4-bromo-N-[[1-(4-ethoxyphenyl)-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)	2.22	-1.74	-17.31	1	5	0	58	383.286	8	↓ MOL2 SDF SMILES Flexibase

8981145

Analogs

8981139

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[[1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]butanamide 4-bromo-N-[[1-(4-ethoxyphenyl)-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)	2.22	-1.77	-17.94	1	5	0	58	383.286	8	↓ MOL2 SDF SMILES Flexibase

33223118

Analogs

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Popular Name: 3-isobutoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide 3-isobutoxy-N-[[4-(2-oxopyrrolid…

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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)	1.56	6.92	-14.49	1	5	0	59	318.417	8	↓ MOL2 SDF SMILES Flexibase

33223135

Analogs

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Popular Name: (2S)-2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (2S)-2-methylsulfanyl-N-[[4-(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)	1.07	6.44	-17.24	1	4	0	49	292.404	5	↓ MOL2 SDF SMILES Flexibase

33223136

Analogs

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Popular Name: (2R)-2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (2R)-2-methylsulfanyl-N-[[4-(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)	1.07	6.44	-16.95	1	4	0	49	292.404	5	↓ MOL2 SDF SMILES Flexibase

35018160

Analogs

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Popular Name: 3-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide 3-amino-N-[4-(2-oxopyrrolidin-1-…

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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)	-0.45	2.65	-58.79	4	5	1	77	248.306	4	↓ MOL2 SDF SMILES Flexibase

35018169

Analogs

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Popular Name: 2-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide 2-amino-N-[4-(2-oxopyrrolidin-1-…

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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)	-0.35	2.01	-56.42	4	5	1	77	234.279	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.62	-19.25	3	5	0	75	233.271	3	↓ MOL2 SDF SMILES Flexibase

50662850

Analogs

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Popular Name: (3R)-1-(3,5-dichlorophenyl)-5-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3R)-1-(3,5-dichlorophenyl)-5-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)	1.56	4.56	-12.96	2	6	0	79	368.22	5	↓ MOL2 SDF SMILES Flexibase

50662852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dichlorophenyl)-5-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3S)-1-(3,5-dichlorophenyl)-5-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)	1.56	4.64	-15.69	2	6	0	79	368.22	5	↓ MOL2 SDF SMILES Flexibase

50662999

Analogs

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Popular Name: (3S)-1-(2,5-dichlorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3S)-1-(2,5-dichlorophenyl)-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)	2.02	5.27	-14.2	2	6	0	79	368.22	5	↓ MOL2 SDF SMILES Flexibase

50663000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dichlorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3R)-1-(2,5-dichlorophenyl)-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)	2.02	5.27	-13.69	2	6	0	79	368.22	5	↓ MOL2 SDF SMILES Flexibase

50663006

Analogs

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Popular Name: (3S)-1-(3,5-difluorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3S)-1-(3,5-difluorophenyl)-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)	0.99	3.86	-14.5	2	6	0	79	335.31	5	↓ MOL2 SDF SMILES Flexibase

50663007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-difluorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3R)-1-(3,5-difluorophenyl)-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)	0.99	3.85	-14.49	2	6	0	79	335.31	5	↓ MOL2 SDF SMILES Flexibase

50663009

Analogs

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Popular Name: (3R)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(p-tolyl)pyrrolidine-3-carboxamide (3R)-2-oxo-N-[2-oxo-2-(prop-2-yn…

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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)	1.19	4.38	-15	2	6	0	79	313.357	5	↓ MOL2 SDF SMILES Flexibase

50663011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(p-tolyl)pyrrolidine-3-carboxamide (3S)-2-oxo-N-[2-oxo-2-(prop-2-yn…

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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)	1.19	4.36	-14.92	2	6	0	79	313.357	5	↓ MOL2 SDF SMILES Flexibase

50663025

Analogs

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Popular Name: (3S)-1-(4-chlorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3S)-1-(4-chlorophenyl)-2-oxo-N-…

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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)	1.41	4.24	-14.37	2	6	0	79	333.775	5	↓ MOL2 SDF SMILES Flexibase

50663026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-chlorophenyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3R)-1-(4-chlorophenyl)-2-oxo-N-…

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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)	1.41	4.24	-14.37	2	6	0	79	333.775	5	↓ MOL2 SDF SMILES Flexibase

50665736

Analogs

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Popular Name: (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3R)-1-(4-methoxyphenyl)-5-oxo-N…

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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	2.82	-14.92	2	7	0	88	329.356	6	↓ MOL2 SDF SMILES Flexibase

50665739

Analogs

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Popular Name: (3S)-1-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-3-carboxamide (3S)-1-(4-methoxyphenyl)-5-oxo-N…

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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	2.86	-17.8	2	7	0	88	329.356	6	↓ MOL2 SDF SMILES Flexibase

48629144

Analogs

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Popular Name: 2-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methylene]propanedinitrile 2-[[[3-(2-oxopyrrolidin-1-yl)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)	0.52	7.04	-18.91	1	5	0	80	266.304	4	↓ MOL2 SDF SMILES Flexibase

48629599

Analogs

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Popular Name: (2S)-2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (2S)-2-methoxy-N-[4-(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)	0.83	5.29	-15.81	1	5	0	59	262.309	4	↓ MOL2 SDF SMILES Flexibase

48629601

Analogs

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Popular Name: (2R)-2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (2R)-2-methoxy-N-[4-(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)	0.83	5.3	-15.67	1	5	0	59	262.309	4	↓ MOL2 SDF SMILES Flexibase

48629603

Analogs

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Popular Name: 2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]methylene]propanedinitrile 2-[[2-methyl-3-(2-oxopyrrolidin-…

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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)	1.20	8.16	-17.56	1	5	0	80	266.304	3	↓ MOL2 SDF SMILES Flexibase

52817794

Analogs

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Popular Name: N,N-dibutyl-3-(2-oxopyrrolidin-1-yl)benzamide N,N-dibutyl-3-(2-oxopyrrolidin-1…

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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)	3.12	10.36	-19.67	0	4	0	41	316.445	8	↓ MOL2 SDF SMILES Flexibase

20129501

Analogs

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Popular Name: 1-[4-[(isobutylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(isobutylamino)methyl]phen…

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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)	1.98	7.82	-46.21	2	3	1	37	247.362	5	↓ MOL2 SDF SMILES Flexibase

20129502

Analogs

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Popular Name: 1-[4-[(2-ethylbutylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(2-ethylbutylamino)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	8.95	-47.43	2	3	1	37	275.416	7	↓ MOL2 SDF SMILES Flexibase

20129504

Analogs

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Popular Name: 1-[4-[(isopentylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(isopentylamino)methyl]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)	2.51	8.41	-47.58	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

20129505

Analogs

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Popular Name: 1-[4-[[[(1R)-1,3-dimethylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1R)-1,3-dimethylbutyl]a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	9	-43.68	2	3	1	37	275.416	6	↓ MOL2 SDF SMILES Flexibase

20129506

Analogs

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Popular Name: 1-[4-[[[(1S)-1,3-dimethylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1S)-1,3-dimethylbutyl]a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	8.97	-43.96	2	3	1	37	275.416	6	↓ MOL2 SDF SMILES Flexibase

20129507

Analogs

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Popular Name: 1-[4-[(1-ethylpropylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(1-ethylpropylamino)methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	8.37	-43.75	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

20129512

Analogs

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Popular Name: 1-[4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1R)-1,2-dimethylpropyl]…

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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)	2.31	8.08	-43.61	2	3	1	37	261.389	5	↓ MOL2 SDF SMILES Flexibase

20129513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[[(1S)-1,2-dimethylpropyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1S)-1,2-dimethylpropyl]…

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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)	2.31	8.21	-42.88	2	3	1	37	261.389	5	↓ MOL2 SDF SMILES Flexibase

20129514

Analogs

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Popular Name: 1-[4-[(isopropylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(isopropylamino)methyl]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)	1.53	6.96	-43.67	2	3	1	37	233.335	4	↓ MOL2 SDF SMILES Flexibase

20129517

Analogs

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Popular Name: 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one 1-[4-(propylaminomethyl)phenyl]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)	1.74	7.11	-46.17	2	3	1	37	233.335	5	↓ MOL2 SDF SMILES Flexibase

20129518

Analogs

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Popular Name: 1-[4-(butylaminomethyl)phenyl]pyrrolidin-2-one 1-[4-(butylaminomethyl)phenyl]py…

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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	7.89	-46.97	2	3	1	37	247.362	6	↓ MOL2 SDF SMILES Flexibase

20129519

Analogs

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Popular Name: 1-[4-(ethylaminomethyl)phenyl]pyrrolidin-2-one 1-[4-(ethylaminomethyl)phenyl]py…

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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)	1.24	6.35	-45.15	2	3	1	37	219.308	4	↓ MOL2 SDF SMILES Flexibase

20129521

Analogs

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Popular Name: 1-[4-[(sec-butylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(sec-butylamino)methyl]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)	2.07	7.76	-43.18	2	3	1	37	247.362	5	↓ MOL2 SDF SMILES Flexibase

20129522

Analogs

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Popular Name: 1-[4-[(sec-butylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(sec-butylamino)methyl]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)	2.07	7.77	-43.27	2	3	1	37	247.362	5	↓ MOL2 SDF SMILES Flexibase

20129524

Analogs

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Popular Name: 1-[4-[[[(1R)-1-methylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1R)-1-methylbutyl]amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	8.53	-44.29	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

20129525

Analogs

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Popular Name: 1-[4-[[[(1S)-1-methylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(1S)-1-methylbutyl]amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	8.54	-44.33	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

20129528

Analogs

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Popular Name: 1-[4-[(3-methylsulfanylpropylamino)methyl]phenyl]pyrrolidin-2-one 1-[4-[(3-methylsulfanylpropylami…

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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)	1.66	8.33	-50.72	2	3	1	37	279.429	7	↓ MOL2 SDF SMILES Flexibase

20129529

Analogs

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Popular Name: 1-[4-[[[(2R)-2-methylpentyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(2R)-2-methylpentyl]amin…

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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	9.22	-47.09	2	3	1	37	275.416	7	↓ MOL2 SDF SMILES Flexibase

20129530

Analogs

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Popular Name: 1-[4-[[[(2S)-2-methylpentyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(2S)-2-methylpentyl]amin…

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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	9.22	-47.32	2	3	1	37	275.416	7	↓ MOL2 SDF SMILES Flexibase

20129531

Analogs

34654031
34654046
34654109
34654165
34654175

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[[(2R)-2-methylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(2R)-2-methylbutyl]amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	8.45	-46.76	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

20129532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]pyrrolidin-2-one 1-[4-[[[(2S)-2-methylbutyl]amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	8.45	-46.95	2	3	1	37	261.389	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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