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ZINC Item

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12404695

Analogs

12404696
34935979

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 1-(2-furylmethyl)-5-oxopyrrolidine-3-carboxylate methyl 1-(2-furylmethyl)-5-oxopy…

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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)	0.68	4.98	-16.13	0	5	0	60	223.228	4	↓ MOL2 SDF SMILES Flexibase

12404696

Analogs

34935979
12404695

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 1-(2-furylmethyl)-5-oxopyrrolidine-3-carboxylate methyl 1-(2-furylmethyl)-5-oxopy…

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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)	0.68	4.98	-14.59	0	5	0	60	223.228	4	↓ MOL2 SDF SMILES Flexibase

14569529

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, 2-[(2-propenylamino)thioxomethyl]hydrazide 3-pyrrolidinecarboxylic acid, 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)	0.52	4.97	-22	3	7	0	87	322.39	8	↓ MOL2 SDF SMILES Flexibase

14569532

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, 2-[(2-propenylamino)thioxomethyl]hydrazide 3-pyrrolidinecarboxylic acid, 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)	0.52	4.97	-23.71	3	7	0	87	322.39	8	↓ MOL2 SDF SMILES Flexibase

68955036

Analogs

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Popular Name: (2S)-1-[(5-bromo-2-furyl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(5-bromo-2-furyl)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)	-0.57	6.17	-43.37	0	5	-1	74	287.089	3	↓ MOL2 SDF SMILES Flexibase

68955040

Analogs

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Popular Name: (2R)-1-[(5-bromo-2-furyl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(5-bromo-2-furyl)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)	-0.57	5.71	-43.48	0	5	-1	74	287.089	3	↓ MOL2 SDF SMILES Flexibase

62816047

Analogs

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Popular Name: 5-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-2-carboxylic 5-[[(4R)-4-methyl-2-oxo-pyrrolid…

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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)	1.01	5.93	-61.44	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

62816048

Analogs

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Popular Name: 5-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-2-carboxylic 5-[[(4S)-4-methyl-2-oxo-pyrrolid…

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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)	1.01	5.93	-61.59	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

62816049

Analogs

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Popular Name: 2-methyl-5-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 2-methyl-5-[[(4R)-4-methyl-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)	0.92	6.45	-53.02	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62816050

Analogs

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Popular Name: 2-methyl-5-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 2-methyl-5-[[(4S)-4-methyl-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)	0.92	6.46	-53.26	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62816051

Analogs

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Popular Name: 2-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 2-[[(4R)-4-methyl-2-oxo-pyrrolid…

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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)	0.70	5.42	-48.29	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

62816052

Analogs

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Popular Name: 2-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 2-[[(4S)-4-methyl-2-oxo-pyrrolid…

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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)	0.70	5.46	-48.41	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

62816059

Analogs

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Popular Name: 3-methyl-5-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-2-carboxylic 3-methyl-5-[[(4R)-4-methyl-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)	1.38	6.5	-62.73	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62816060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-2-carboxylic 3-methyl-5-[[(4S)-4-methyl-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)	1.38	6.51	-62.9	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62816071

Analogs

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Popular Name: 5-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 5-[[(4R)-4-methyl-2-oxo-pyrrolid…

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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)	0.70	5.67	-52.67	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

62816072

Analogs

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Popular Name: 5-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]furan-3-carboxylic 5-[[(4S)-4-methyl-2-oxo-pyrrolid…

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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)	0.70	5.67	-52.88	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

66237023

Analogs

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Popular Name: (3S)-N-[2-(ethylamino)-2-oxo-ethyl]-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[2-(ethylamino)-2-oxo-eth…

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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)	-0.09	1.81	-16.79	2	7	0	92	293.323	6	↓ MOL2 SDF SMILES Flexibase

69199508

Analogs

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Popular Name: allyl allyl

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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)	1.33	6.47	-11.42	0	5	0	60	249.266	6	↓ MOL2 SDF SMILES Flexibase

69199547

Analogs

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Popular Name: propyl propyl

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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	6.7	-11.19	0	5	0	60	251.282	6	↓ MOL2 SDF SMILES Flexibase

69199548

Analogs

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Popular Name: isobutyl isobutyl

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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	7.35	-11.09	0	5	0	60	265.309	6	↓ MOL2 SDF SMILES Flexibase

69200162

Analogs

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Popular Name: 2-isopropoxyethyl 2-isopropoxyethyl

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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)	1.22	6.85	-12.73	0	6	0	69	295.335	8	↓ MOL2 SDF SMILES Flexibase

65552658

Analogs

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Popular Name: (3R)-1-(2-furylmethyl)-N-[2-(methanesulfonamido)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(2-furylmethyl)-N-[2-(met…

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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)	-0.91	-0.55	-24.2	2	8	0	109	329.378	7	↓ MOL2 SDF SMILES Flexibase

65552659

Analogs

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Popular Name: (3S)-1-(2-furylmethyl)-N-[2-(methanesulfonamido)ethyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(2-furylmethyl)-N-[2-(met…

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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)	-0.91	-0.55	-26.3	2	8	0	109	329.378	7	↓ MOL2 SDF SMILES Flexibase

66202133

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, [(1E)-1-methylhexylidene]hydrazide 3-pyrrolidinecarboxylic acid, 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)	2.66	7.36	-16.63	1	6	0	75	319.405	8	↓ MOL2 SDF SMILES Flexibase

66202134

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, [(1E)-1-methylhexylidene]hydrazide 3-pyrrolidinecarboxylic acid, 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)	2.66	7.36	-18.48	1	6	0	75	319.405	8	↓ MOL2 SDF SMILES Flexibase

66202367

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, [(1E)-1-ethylpentylidene]hydrazide 3-pyrrolidinecarboxylic acid, 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)	2.66	7.26	-16.02	1	6	0	75	319.405	8	↓ MOL2 SDF SMILES Flexibase

66202368

Analogs

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Popular Name: 3-pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo-, [(1E)-1-ethylpentylidene]hydrazide 3-pyrrolidinecarboxylic acid, 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)	2.66	7.26	-17.69	1	6	0	75	319.405	8	↓ MOL2 SDF SMILES Flexibase

69971279

Analogs

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Popular Name: (4R)-1-(2-furylmethyl)-4-hydroxy-pyrrolidin-2-one (4R)-1-(2-furylmethyl)-4-hydroxy…

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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)	-0.19	0.98	-11.53	1	4	0	54	181.191	2	↓ MOL2 SDF SMILES Flexibase

69971281

Analogs

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Popular Name: (4S)-1-(2-furylmethyl)-4-hydroxy-pyrrolidin-2-one (4S)-1-(2-furylmethyl)-4-hydroxy…

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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)	-0.19	0.99	-12.34	1	4	0	54	181.191	2	↓ MOL2 SDF SMILES Flexibase

69972344

Analogs

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Popular Name: (4R)-1-[(1S)-1-(2-furyl)ethyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S)-1-(2-furyl)ethyl]-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)	0.37	2.6	-10.98	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69972346

Analogs

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Popular Name: (4R)-1-[(1R)-1-(2-furyl)ethyl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R)-1-(2-furyl)ethyl]-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)	0.37	2.6	-11.65	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69972350

Analogs

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Popular Name: (4S)-1-[(1S)-1-(2-furyl)ethyl]-4-hydroxy-pyrrolidin-2-one (4S)-1-[(1S)-1-(2-furyl)ethyl]-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)	0.37	2.6	-13.58	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69972354

Analogs

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Popular Name: (4S)-1-[(1R)-1-(2-furyl)ethyl]-4-hydroxy-pyrrolidin-2-one (4S)-1-[(1R)-1-(2-furyl)ethyl]-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)	0.37	2.6	-12.68	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69972869

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(5-methyl-2-furyl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(5-methyl-2-fu…

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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)	0.03	1.8	-12	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69972873

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(5-methyl-2-furyl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(5-methyl-2-fu…

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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)	0.03	1.81	-12.92	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

69973867

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1R)-1-(5-methyl-2-furyl)ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1R)-1-(5-meth…

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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	3.42	-12.25	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

69973871

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1S)-1-(5-methyl-2-furyl)ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1S)-1-(5-meth…

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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	3.42	-11.47	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

69973876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1R)-1-(5-methyl-2-furyl)ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1R)-1-(5-meth…

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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	3.42	-13.24	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

69973878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[(1S)-1-(5-methyl-2-furyl)ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1S)-1-(5-meth…

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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	3.42	-14.2	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

48949416

Analogs

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Popular Name: 1-[[(3R)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-urea 1-[[(3R)-1-(2-furylmethyl)-5-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)	-0.66	0.85	-20.65	3	8	0	104	280.284	4	↓ MOL2 SDF SMILES Flexibase

48949418

Analogs

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Popular Name: 1-[[(3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-urea 1-[[(3S)-1-(2-furylmethyl)-5-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)	-0.66	0.85	-22.41	3	8	0	104	280.284	4	↓ MOL2 SDF SMILES Flexibase

49280711

Analogs

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Popular Name: (3R)-N-(2-bromoallyl)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(2-bromoallyl)-1-(2-furyl…

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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)	1.04	4.5	-12.93	1	5	0	63	327.178	5	↓ MOL2 SDF SMILES Flexibase

49280712

Analogs

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Popular Name: (3S)-N-(2-bromoallyl)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(2-bromoallyl)-1-(2-furyl…

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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)	1.04	4.5	-14.7	1	5	0	63	327.178	5	↓ MOL2 SDF SMILES Flexibase

49346628

Analogs

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Popular Name: (3R)-N-ethoxy-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-ethoxy-1-(2-furylmethyl)-…

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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)	0.26	4.39	-16.52	1	6	0	72	252.27	5	↓ MOL2 SDF SMILES Flexibase

49346632

Analogs

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Popular Name: (3S)-N-ethoxy-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-ethoxy-1-(2-furylmethyl)-…

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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)	0.26	4.39	-18.35	1	6	0	72	252.27	5	↓ MOL2 SDF SMILES Flexibase

49426605

Analogs

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Popular Name: (3R)-N-(cyanomethyl)-N-ethyl-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(cyanomethyl)-N-ethyl-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)	0.33	6.04	-18.62	0	6	0	78	275.308	5	↓ MOL2 SDF SMILES Flexibase

49426607

Analogs

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Popular Name: (3S)-N-(cyanomethyl)-N-ethyl-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(cyanomethyl)-N-ethyl-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)	0.33	6.11	-22.82	0	6	0	78	275.308	5	↓ MOL2 SDF SMILES Flexibase

39266827

Analogs

7777842
7777841
35686499

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Popular Name: (3R)-N-[2-(dibutylamino)ethyl]-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-N-[2-(dibutylamino)ethyl]-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)	2.83	9	-52.12	2	6	1	67	364.51	12	↓ MOL2 SDF SMILES Flexibase

39266828

Analogs

7777842
7777841
35686499

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(dibutylamino)ethyl]-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-N-[2-(dibutylamino)ethyl]-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)	2.83	9	-53.13	2	6	1	67	364.51	12	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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