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ZINC Item

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61447955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3-bromophenoxy)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(3-bromophenoxy)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)	0.31	7.61	-44.98	0	5	-1	70	327.154	5	↓ MOL2 SDF SMILES Flexibase

61447958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3-bromophenoxy)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(3-bromophenoxy)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)	0.31	7.1	-43.97	0	5	-1	70	327.154	5	↓ MOL2 SDF SMILES Flexibase

61447961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-bromophenoxy)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[2-(4-bromophenoxy)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)	0.33	7.61	-44.29	0	5	-1	70	327.154	5	↓ MOL2 SDF SMILES Flexibase

61447963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-bromophenoxy)ethyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[2-(4-bromophenoxy)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)	0.33	7.1	-42.69	0	5	-1	70	327.154	5	↓ MOL2 SDF SMILES Flexibase

62815835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(4-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-aminophenoxy)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)	1.30	4.4	-8.65	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(4-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-aminophenoxy)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)	1.30	4.37	-8.75	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(2-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2-aminophenoxy)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)	1.66	4.53	-8.65	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(2-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2-aminophenoxy)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)	1.66	4.5	-8.8	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-(3-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-aminophenoxy)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)	1.27	4.41	-8.82	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-(3-aminophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-aminophenoxy)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)	1.27	4.38	-8.91	2	4	0	56	234.299	4	↓ MOL2 SDF SMILES Flexibase

62815967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-[3-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[3-(aminomethyl)phenox…

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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)	1.38	4.57	-51.96	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.38	4.17	-8.3	2	4	0	56	248.326	5	↓ MOL2 SDF SMILES Flexibase

62815968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[3-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[3-(aminomethyl)phenox…

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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)	1.38	4.54	-51.85	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.38	4.14	-8.4	2	4	0	56	248.326	5	↓ MOL2 SDF SMILES Flexibase

62815975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[2-(aminomethyl)phenox…

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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)	1.36	4.63	-52.51	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	4.22	-8.15	2	4	0	56	248.326	5	↓ MOL2 SDF SMILES Flexibase

62815976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[2-(aminomethyl)phenox…

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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)	1.36	4.6	-52.3	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.36	4.19	-8.27	2	4	0	56	248.326	5	↓ MOL2 SDF SMILES Flexibase

62815977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-[4-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[4-(aminomethyl)phenox…

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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	4.57	-50.11	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase

62815978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[4-(aminomethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[4-(aminomethyl)phenox…

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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	4.54	-50.1	3	4	1	57	249.334	5	↓ MOL2 SDF SMILES Flexibase

62816007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[4-(2-aminoethyl)pheno…

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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)	1.21	5.35	-50.99	3	4	1	57	263.361	6	↓ MOL2 SDF SMILES Flexibase

62816008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[4-(2-aminoethyl)pheno…

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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)	1.21	5.32	-51.11	3	4	1	57	263.361	6	↓ MOL2 SDF SMILES Flexibase

62816053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 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)	2.13	7.1	-52.67	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 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)	2.13	7.08	-52.75	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816055

Analogs

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Popular Name: 3-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 3-[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)	2.11	7.1	-52.4	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 3-[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)	2.11	7.07	-52.58	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 2-[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)	2.17	7.71	-52.81	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816058

Analogs

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Popular Name: 2-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzoic 2-[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)	2.17	7.78	-53.2	0	5	-1	70	262.285	5	↓ MOL2 SDF SMILES Flexibase

62816715

Analogs

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Popular Name: 4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]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)	1.98	6.93	-10.48	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816716

Analogs

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Popular Name: 4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]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)	1.98	6.91	-10.51	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzonitrile 3-[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)	1.95	6.93	-9.85	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816734

Analogs

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Popular Name: 3-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzonitrile 3-[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)	1.95	6.9	-9.98	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816735

Analogs

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Popular Name: 2-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzonitrile 2-[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)	1.93	6.96	-10.13	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816736

Analogs

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Popular Name: 2-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzonitrile 2-[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)	1.93	6.93	-10.25	0	4	0	53	244.294	4	↓ MOL2 SDF SMILES Flexibase

62816747

Analogs

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Popular Name: 2-[4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]phenyl]acetonitrile 2-[4-[2-[(4R)-4-methyl-2-oxo-pyr…

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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)	2.19	7.71	-13.79	0	4	0	53	258.321	5	↓ MOL2 SDF SMILES Flexibase

62816748

Analogs

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Popular Name: 2-[4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]phenyl]acetonitrile 2-[4-[2-[(4S)-4-methyl-2-oxo-pyr…

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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)	2.19	7.68	-13.94	0	4	0	53	258.321	5	↓ MOL2 SDF SMILES Flexibase

62816787

Analogs

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Popular Name: 2-[4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]phenyl]thioacetamide 2-[4-[2-[(4R)-4-methyl-2-oxo-pyr…

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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)	1.32	6.32	-16.11	2	4	0	56	292.404	6	↓ MOL2 SDF SMILES Flexibase

62816788

Analogs

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Popular Name: 2-[4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]phenyl]thioacetamide 2-[4-[2-[(4S)-4-methyl-2-oxo-pyr…

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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)	1.32	6.29	-16.26	2	4	0	56	292.404	6	↓ MOL2 SDF SMILES Flexibase

62816793

Analogs

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Popular Name: 4-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 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)	2.02	5.78	-18.16	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816794

Analogs

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Popular Name: 4-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 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)	2.02	5.74	-18.24	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816795

Analogs

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Popular Name: 3-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 3-[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)	2.00	5.76	-16.92	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816796

Analogs

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Popular Name: 3-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 3-[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)	2.00	5.73	-17.1	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 2-[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)	1.98	5.86	-13.63	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816798

Analogs

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Popular Name: 2-[2-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]ethoxy]benzenecarbothioamide 2-[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)	1.98	5.74	-13.09	2	4	0	56	278.377	5	↓ MOL2 SDF SMILES Flexibase

62816937

Analogs

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Popular Name: (4R)-1-[2-(2-acetylphenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(2-acetylphenoxy)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)	2.07	8.1	-11.4	0	4	0	47	261.321	5	↓ MOL2 SDF SMILES Flexibase

62816938

Analogs

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Popular Name: (4S)-1-[2-(2-acetylphenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(2-acetylphenoxy)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)	2.07	8.15	-11.6	0	4	0	47	261.321	5	↓ MOL2 SDF SMILES Flexibase

62817425

Analogs

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Popular Name: (4R)-1-[2-(3-bromophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(3-bromophenoxy)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)	3.01	7.16	-7.4	0	3	0	30	298.18	4	↓ MOL2 SDF SMILES Flexibase

62817426

Analogs

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Popular Name: (4S)-1-[2-(3-bromophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(3-bromophenoxy)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)	3.01	7.13	-7.54	0	3	0	30	298.18	4	↓ MOL2 SDF SMILES Flexibase

62817427

Analogs

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Popular Name: (4R)-1-[2-(4-bromophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-(4-bromophenoxy)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)	3.03	7.16	-7.52	0	3	0	30	298.18	4	↓ MOL2 SDF SMILES Flexibase

62817428

Analogs

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Popular Name: (4S)-1-[2-(4-bromophenoxy)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-(4-bromophenoxy)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)	3.03	7.13	-7.57	0	3	0	30	298.18	4	↓ MOL2 SDF SMILES Flexibase

62817445

Analogs

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Popular Name: (4R)-1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[4-(3-aminoprop-1-ynyl…

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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)	1.23	6.05	-51.34	3	4	1	57	273.356	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	5.65	-10	2	4	0	56	272.348	4	↓ MOL2 SDF SMILES Flexibase

62817446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[4-(3-aminoprop-1-ynyl…

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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)	1.23	6.02	-51.63	3	4	1	57	273.356	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	5.62	-10.14	2	4	0	56	272.348	4	↓ MOL2 SDF SMILES Flexibase

62817455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[2-[3-(3-aminoprop-1-ynyl…

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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	6.05	-53.29	3	4	1	57	273.356	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	5.65	-10.06	2	4	0	56	272.348	4	↓ MOL2 SDF SMILES Flexibase

62817456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[2-[3-(3-aminoprop-1-ynyl…

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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	6.02	-53.13	3	4	1	57	273.356	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	5.62	-10.15	2	4	0	56	272.348	4	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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