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ZINC Item

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62912589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dimethylfuran-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2,5-dimethylfuran-3-carb…

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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)	0.29	6.25	-51.72	0	5	-1	74	250.274	2	↓ MOL2 SDF SMILES Flexibase

62912590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2,5-dimethylfuran-3-carb…

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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)	0.29	6.31	-48.91	0	5	-1	74	250.274	2	↓ MOL2 SDF SMILES Flexibase

62912715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(2-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-methylfuran-3…

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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)	0.06	5.41	-52.36	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62912716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(2-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-methylfuran-3…

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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)	0.06	5.5	-48.79	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62912725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(furan-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(furan-3-carbonyl)-3-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)	-0.16	4.61	-44.47	0	5	-1	74	222.22	2	↓ MOL2 SDF SMILES Flexibase

62912726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(furan-3-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(furan-3-carbonyl)-3-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)	-0.16	4.72	-49.45	0	5	-1	74	222.22	2	↓ MOL2 SDF SMILES Flexibase

62913861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2,4,5-trimethyl…

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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	7.11	-52.33	0	5	-1	74	264.301	2	↓ MOL2 SDF SMILES Flexibase

62913862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2,4,5-trimethyl…

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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	7.17	-54.81	0	5	-1	74	264.301	2	↓ MOL2 SDF SMILES Flexibase

62914216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(2,5-dimethylfuran-3-carb…

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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)	0.62	6.78	-44.1	0	5	-1	74	264.301	3	↓ MOL2 SDF SMILES Flexibase

62914217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dimethylfuran-3-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(2,5-dimethylfuran-3-carb…

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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)	0.62	6.82	-48.71	0	5	-1	74	264.301	3	↓ MOL2 SDF SMILES Flexibase

62914322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(2-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-methylfuran-3-…

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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)	0.40	5.95	-44.32	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(2-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-methylfuran-3-…

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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)	0.40	5.99	-48.51	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(furan-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(furan-3-carbonyl…

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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	5.18	-43.87	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62914333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(furan-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(furan-3-carbonyl…

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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	5.22	-48.91	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62915548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2,4,5-trimethylf…

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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)	1.00	7.72	-48.66	0	5	-1	74	278.328	3	↓ MOL2 SDF SMILES Flexibase

62915549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2,4,5-trimethylf…

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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)	1.00	7.63	-54.16	0	5	-1	74	278.328	3	↓ MOL2 SDF SMILES Flexibase

62918725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2,5-dimethylfuran-3-carb…

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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)	1.18	7.54	-44.4	0	5	-1	74	278.328	4	↓ MOL2 SDF SMILES Flexibase

62918728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2,5-dimethylfuran-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2,5-dimethylfuran-3-carb…

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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)	1.18	7.59	-48.99	0	5	-1	74	278.328	4	↓ MOL2 SDF SMILES Flexibase

62919443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-methylfuran-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-methylfuran-3-carbonyl…

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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)	0.96	6.71	-44.59	0	5	-1	74	264.301	4	↓ MOL2 SDF SMILES Flexibase

62919446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-methylfuran-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-methylfuran-3-carbonyl…

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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)	0.96	6.76	-48.83	0	5	-1	74	264.301	4	↓ MOL2 SDF SMILES Flexibase

62919492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(furan-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(furan-3-carbonyl)-3-prop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	5.93	-44.05	0	5	-1	74	250.274	4	↓ MOL2 SDF SMILES Flexibase

62919494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(furan-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(furan-3-carbonyl)-3-prop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	5.99	-49.05	0	5	-1	74	250.274	4	↓ MOL2 SDF SMILES Flexibase

62923169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(2,4,5-trimethyl…

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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	8.49	-49.04	0	5	-1	74	292.355	4	↓ MOL2 SDF SMILES Flexibase

62923171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(2,4,5-trimethyl…

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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	8.39	-54.5	0	5	-1	74	292.355	4	↓ MOL2 SDF SMILES Flexibase

65518295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-bromo-2,5-dimethyl-furan-3-carbonyl)pyrrolidine-3-carboxamide (3S)-1-(4-bromo-2,5-dimethyl-fur…

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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	2.76	-13.66	2	5	0	77	315.167	2	↓ MOL2 SDF SMILES Flexibase

65518299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-bromo-2,5-dimethyl-furan-3-carbonyl)pyrrolidine-3-carboxamide (3R)-1-(4-bromo-2,5-dimethyl-fur…

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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	2.75	-13.32	2	5	0	77	315.167	2	↓ MOL2 SDF SMILES Flexibase

65533623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[({3-nitro-2-methylphenyl}imino)methyl]-2-methyl-1H-indole 3-[({3-nitro-2-methylphenyl}imin…

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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)	1.35	8.87	-56.49	1	6	1	64	323.413	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	6.49	-12.38	0	6	0	63	322.405	5	↓ MOL2 SDF SMILES Flexibase

41827870

Analogs

41827872

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(furan-3-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-(furan-3-carbonyl)-N-(2,2…

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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)	0.27	3.27	-15.12	1	5	0	63	290.241	4	↓ MOL2 SDF SMILES Flexibase

41827872

Analogs

41827870

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(furan-3-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-(furan-3-carbonyl)-N-(2,2…

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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)	0.27	3.45	-15.73	1	5	0	63	290.241	4	↓ MOL2 SDF SMILES Flexibase

42144234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2-methylfuran-3-carbo…

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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)	-0.02	6.86	-66.12	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

42144235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2-methylfuran-3-carbo…

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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)	-0.02	6.93	-66.79	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

42144244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(furan-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(furan-3-carbonyl)pyrr…

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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)	-0.24	6.16	-71.16	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

42144245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(furan-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(furan-3-carbonyl)pyrr…

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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)	-0.24	6.3	-72.07	0	5	-1	74	222.22	3	↓ MOL2 SDF SMILES Flexibase

42144290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,5-dimethylfuran-3-c…

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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	7.62	-66.08	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

42144291

Analogs

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Popular Name: 2-[(2S)-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,5-dimethylfuran-3-c…

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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	7.79	-66.79	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

42145071

Analogs

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Popular Name: 2-[(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,4,5-trimethylfuran-…

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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)	0.58	7.45	-55.08	0	5	-1	74	264.301	3	↓ MOL2 SDF SMILES Flexibase

42145072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,4,5-trimethylfuran-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,4,5-trimethylfuran-…

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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)	0.58	7.42	-55.27	0	5	-1	74	264.301	3	↓ MOL2 SDF SMILES Flexibase

42433319

Analogs

42433320

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Popular Name: (2,5-dimethyl-3-furyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (2,5-dimethyl-3-furyl)-[(2R)-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)	0.05	2.82	-9.24	1	4	0	54	223.272	2	↓ MOL2 SDF SMILES Flexibase

42433320

Analogs

42433319

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dimethyl-3-furyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (2,5-dimethyl-3-furyl)-[(2S)-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)	0.05	2.84	-9.26	1	4	0	54	223.272	2	↓ MOL2 SDF SMILES Flexibase

42433569

Analogs

42433570

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-3-furyl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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)	-0.17	1.98	-9.45	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

42433570

Analogs

42433569

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-3-furyl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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)	-0.17	2.04	-9.34	1	4	0	54	209.245	2	↓ MOL2 SDF SMILES Flexibase

42433578

Analogs

38973975

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Popular Name: 3-furyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 3-furyl-[(2R)-2-(hydroxymethyl)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)	-0.39	2.64	-12.28	1	4	0	54	195.218	2	↓ MOL2 SDF SMILES Flexibase

42434281

Analogs

42434282

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,5-trimethyl-3-furyl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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)	0.43	3.68	-10.35	1	4	0	54	237.299	2	↓ MOL2 SDF SMILES Flexibase

42434282

Analogs

42434281

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,5-trimethyl-3-furyl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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)	0.43	3.68	-10.64	1	4	0	54	237.299	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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