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ZINC Item

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4891035

Analogs

4805499
4805502

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-pyrrolidine-1-carboxamide N-(3,4-dimethylphenyl)-2-(3-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)	4.61	-1.36	-17.38	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

4891043

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-pyrrolidine-1-carboxamide N-(3,4-dimethylphenyl)-2-(3-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)	4.61	-1.45	-18.58	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

65320547

Analogs

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Popular Name: (2R)-N-(3,5-dimethylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(3,5-dimethylphenyl)-2-(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)	4.61	8.87	-18.1	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

65320548

Analogs

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Popular Name: (2S)-N-(3,5-dimethylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(3,5-dimethylphenyl)-2-(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)	4.61	8.85	-19.3	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

65320550

Analogs

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Popular Name: (2R)-N-(2-chloro-4-methyl-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(2-chloro-4-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	8.83	-15.82	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chloro-4-methyl-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(2-chloro-4-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	8.81	-16.09	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320553

Analogs

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Popular Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(5-chloro-2-methoxy-pheny…

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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)	4.45	7.47	-18.31	1	7	0	80	398.85	4	↓ MOL2 SDF SMILES Flexibase

65320555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(5-chloro-2-methoxy-pheny…

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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)	4.45	7.45	-19.27	1	7	0	80	398.85	4	↓ MOL2 SDF SMILES Flexibase

65320557

Analogs

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Popular Name: (2S)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(4-fluorophenyl)-2-(3-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)	3.95	7.63	-18.37	1	6	0	71	352.369	3	↓ MOL2 SDF SMILES Flexibase

65320559

Analogs

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Popular Name: (2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(4-fluorophenyl)-2-(3-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)	3.95	7.6	-18.32	1	6	0	71	352.369	3	↓ MOL2 SDF SMILES Flexibase

65320560

Analogs

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Popular Name: (2R)-N-(3-chloro-2-methyl-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(3-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	8.84	-16.45	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(3-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	8.8	-17.06	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320564

Analogs

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Popular Name: (2S)-N-(2,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(2,5-difluorophenyl)-2-(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)	4.04	7.73	-17.65	1	6	0	71	370.359	3	↓ MOL2 SDF SMILES Flexibase

65320565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,5-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(2,5-difluorophenyl)-2-(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)	4.04	7.69	-17.79	1	6	0	71	370.359	3	↓ MOL2 SDF SMILES Flexibase

65320571

Analogs

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Popular Name: (2R)-N-(3-methylsulfanylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(3-methylsulfanylphenyl)-…

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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)	4.19	8.54	-20.72	1	6	0	71	380.473	4	↓ MOL2 SDF SMILES Flexibase

65320574

Analogs

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Popular Name: (2S)-N-(3-methylsulfanylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(3-methylsulfanylphenyl)-…

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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)	4.19	8.52	-22.93	1	6	0	71	380.473	4	↓ MOL2 SDF SMILES Flexibase

65320578

Analogs

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Popular Name: (2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide (2R)-2-[3-(4-fluorophenyl)-1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	8.6	-18.51	1	6	0	71	398.463	4	↓ MOL2 SDF SMILES Flexibase

65320579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide (2S)-2-[3-(4-fluorophenyl)-1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	8.59	-20.38	1	6	0	71	398.463	4	↓ MOL2 SDF SMILES Flexibase

65320586

Analogs

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Popular Name: (2R)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-N-(p-tolyl)pyrrolidine-1-carboxamide (2R)-2-[3-(o-tolyl)-1,2,4-oxadia…

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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)	4.63	8.71	-18.33	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

65320587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-N-(p-tolyl)pyrrolidine-1-carboxamide (2S)-2-[3-(o-tolyl)-1,2,4-oxadia…

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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)	4.63	8.7	-19	1	6	0	71	362.433	3	↓ MOL2 SDF SMILES Flexibase

65320588

Analogs

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Popular Name: (2S)-N-(2-methoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2-methoxyphenyl)-2-[3-(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)	4.19	7.65	-17.75	1	7	0	80	378.432	4	↓ MOL2 SDF SMILES Flexibase

65320590

Analogs

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Popular Name: (2R)-N-(2-methoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2-methoxyphenyl)-2-[3-(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)	4.19	7.64	-18.63	1	7	0	80	378.432	4	↓ MOL2 SDF SMILES Flexibase

65320592

Analogs

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Popular Name: (2S)-N-(3,4-dimethylphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(3,4-dimethylphenyl)-2-[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)	5.01	9.27	-18.9	1	6	0	71	376.46	3	↓ MOL2 SDF SMILES Flexibase

65320594

Analogs

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Popular Name: (2R)-N-(3,4-dimethylphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(3,4-dimethylphenyl)-2-[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)	5.01	9.25	-19.08	1	6	0	71	376.46	3	↓ MOL2 SDF SMILES Flexibase

65320596

Analogs

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Popular Name: (2S)-N-(3,5-dimethylphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(3,5-dimethylphenyl)-2-[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)	5.01	9.4	-18.61	1	6	0	71	376.46	3	↓ MOL2 SDF SMILES Flexibase

65320598

Analogs

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Popular Name: (2R)-N-(3,5-dimethylphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(3,5-dimethylphenyl)-2-[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)	5.01	9.38	-18.88	1	6	0	71	376.46	3	↓ MOL2 SDF SMILES Flexibase

65320599

Analogs

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Popular Name: (2R)-N-(2-chloro-4-methyl-phenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2-chloro-4-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	9.5	-16.13	1	6	0	71	396.878	3	↓ MOL2 SDF SMILES Flexibase

65320600

Analogs

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Popular Name: (2S)-N-(2-chloro-4-methyl-phenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2-chloro-4-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	9.48	-15.77	1	6	0	71	396.878	3	↓ MOL2 SDF SMILES Flexibase

65320601

Analogs

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Popular Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(5-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	9.46	-18.75	1	6	0	71	396.878	3	↓ MOL2 SDF SMILES Flexibase

65320603

Analogs

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Popular Name: (2R)-N-(5-chloro-2-methyl-phenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(5-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	9.45	-20.66	1	6	0	71	396.878	3	↓ MOL2 SDF SMILES Flexibase

65320605

Analogs

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Popular Name: (2S)-N-(4-methoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(4-methoxyphenyl)-2-[3-(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)	4.24	7.34	-18.95	1	7	0	80	378.432	4	↓ MOL2 SDF SMILES Flexibase

65320606

Analogs

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Popular Name: (2R)-N-(4-methoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(4-methoxyphenyl)-2-[3-(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)	4.24	7.31	-19.36	1	7	0	80	378.432	4	↓ MOL2 SDF SMILES Flexibase

65320607

Analogs

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Popular Name: (2R)-N-(4-ethoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(4-ethoxyphenyl)-2-[3-(o-…

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.62	8.25	-18.78	1	7	0	80	392.459	5	↓ MOL2 SDF SMILES Flexibase

65320610

Analogs

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Popular Name: (2S)-N-(4-ethoxyphenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(4-ethoxyphenyl)-2-[3-(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)	4.62	8.23	-19.13	1	7	0	80	392.459	5	↓ MOL2 SDF SMILES Flexibase

65320612

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2-chlorophenyl)-2-[3-(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)	4.81	8.86	-15.62	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320613

Analogs

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Popular Name: (2R)-N-(2-chlorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2-chlorophenyl)-2-[3-(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)	4.81	8.85	-16.64	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320620

Analogs

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Popular Name: (2S)-N-(2,5-difluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2,5-difluorophenyl)-2-[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)	4.44	8.41	-17.32	1	6	0	71	384.386	3	↓ MOL2 SDF SMILES Flexibase

65320622

Analogs

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Popular Name: (2R)-N-(2,5-difluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2,5-difluorophenyl)-2-[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)	4.44	8.4	-17.84	1	6	0	71	384.386	3	↓ MOL2 SDF SMILES Flexibase

65320624

Analogs

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Popular Name: (2S)-N-(2-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2-fluorophenyl)-2-[3-(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)	4.30	8.35	-15.97	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320625

Analogs

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Popular Name: (2R)-N-(2-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2-fluorophenyl)-2-[3-(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)	4.30	8.33	-17.13	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320629

Analogs

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Popular Name: (2S)-N-(2,4-difluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2,4-difluorophenyl)-2-[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)	4.44	8.42	-14.18	1	6	0	71	384.386	3	↓ MOL2 SDF SMILES Flexibase

65320630

Analogs

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Popular Name: (2R)-N-(2,4-difluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2,4-difluorophenyl)-2-[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)	4.44	8.4	-15.56	1	6	0	71	384.386	3	↓ MOL2 SDF SMILES Flexibase

65320648

Analogs

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Popular Name: (2S)-N-(3-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(3-fluorophenyl)-2-[3-(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)	4.32	8.11	-21.58	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320649

Analogs

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Popular Name: (2R)-N-(3-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(3-fluorophenyl)-2-[3-(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)	4.32	8.1	-20.97	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320663

Analogs

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Popular Name: (2S)-N-(4-fluorophenyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(4-fluorophenyl)-2-[3-(m-…

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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)	4.37	8.29	-18.39	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(4-fluorophenyl)-2-[3-(m-…

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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)	4.37	8.27	-18.33	1	6	0	71	366.396	3	↓ MOL2 SDF SMILES Flexibase

65320687

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(2-chlorophenyl)-2-[3-(m-…

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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)	4.84	8.85	-15.97	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

65320689

Analogs

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Popular Name: (2R)-N-(2-chlorophenyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(2-chlorophenyl)-2-[3-(m-…

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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)	4.84	8.83	-16.63	1	6	0	71	382.851	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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