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ZINC Item

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62915604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-methylp…

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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)	1.51	4.47	-87.14	3	5	2	60	254.378	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	2.35	-44.97	2	5	1	59	253.37	6	↓ MOL2 SDF SMILES Flexibase

62915605

Analogs

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Popular Name: N,N-diethyl-2-[5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-methylp…

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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)	1.51	4.48	-88.33	3	5	2	60	254.378	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	2.37	-45.11	2	5	1	59	253.37	6	↓ MOL2 SDF SMILES Flexibase

62915610

Analogs

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Popular Name: N,N-diethyl-2-[5-[(3S)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-ethylpy…

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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)	1.83	5.88	-87.55	3	5	2	60	268.405	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	3.73	-45.74	2	5	1	59	267.397	7	↓ MOL2 SDF SMILES Flexibase

62915611

Analogs

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Popular Name: N,N-diethyl-2-[5-[(3R)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-ethylpy…

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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)	1.83	5.89	-88.55	3	5	2	60	268.405	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	3.76	-44.64	2	5	1	59	267.397	7	↓ MOL2 SDF SMILES Flexibase

62915614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-propylp…

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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)	2.39	6.64	-87.81	3	5	2	60	282.432	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	4.51	-46.11	2	5	1	59	281.424	8	↓ MOL2 SDF SMILES Flexibase

62915615

Analogs

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Popular Name: N,N-diethyl-2-[5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-propylp…

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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)	2.39	6.64	-89.09	3	5	2	60	282.432	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	4.53	-44.97	2	5	1	59	281.424	8	↓ MOL2 SDF SMILES Flexibase

62916169

Analogs

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Popular Name: 3-isobutyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isobutyl-5-[(3R)-3-methylpyrro…

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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)	1.85	3.03	-44.76	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62916172

Analogs

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Popular Name: 3-isobutyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isobutyl-5-[(3S)-3-methylpyrro…

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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)	1.85	3.04	-44.8	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62916187

Analogs

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Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-isobutyl-1,2,4-oxadiazole 5-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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	4.43	-45.31	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62916190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-isobutyl-1,2,4-oxadiazole 5-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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	4.44	-44.04	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62916210

Analogs

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Popular Name: 3-isobutyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isobutyl-5-[(3S)-3-propylpyrro…

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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)	2.73	5.18	-45.67	2	4	1	56	238.355	5	↓ MOL2 SDF SMILES Flexibase

62916213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isobutyl-5-[(3R)-3-propylpyrro…

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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)	2.73	5.2	-44.33	2	4	1	56	238.355	5	↓ MOL2 SDF SMILES Flexibase

62916332

Analogs

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Popular Name: 3-isopropyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isopropyl-5-[(3R)-3-methylpyrr…

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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)	1.59	2.25	-45.03	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62916335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isopropyl-5-[(3S)-3-methylpyrr…

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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)	1.59	2.26	-45.17	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62916343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-isopropyl-1,2,4-oxadiazole 5-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	1.91	3.64	-45.58	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62916347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-isopropyl-1,2,4-oxadiazole 5-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	1.91	3.67	-44.44	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62916350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isopropyl-5-[(3S)-3-propylpyrr…

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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)	2.47	4.4	-45.95	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62916352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-isopropyl-5-[(3R)-3-propylpyrr…

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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)	2.47	4.43	-44.74	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62916503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-methylpyrrolid…

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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)	1.10	1.8	-45.24	2	4	1	56	182.247	2	↓ MOL2 SDF SMILES Flexibase

62916505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-methylpyrrolid…

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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)	1.10	1.81	-45.32	2	4	1	56	182.247	2	↓ MOL2 SDF SMILES Flexibase

62916523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-ethylpyrrolidi…

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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)	1.43	3.21	-44.54	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62916525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-ethylpyrrolidi…

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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)	1.43	3.21	-45.73	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62916528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-propylpyrrolid…

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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)	1.99	3.95	-46.04	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

62916531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-propylpyrrolid…

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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)	1.99	3.98	-44.82	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

62916698

Analogs

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Popular Name: 3-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-methyl-5-[(3R)-3-methylpyrroli…

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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)	0.53	1.18	-45.44	2	4	1	56	168.22	1	↓ MOL2 SDF SMILES Flexibase

62916701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-methyl-5-[(3S)-3-methylpyrroli…

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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)	0.53	1.19	-45.56	2	4	1	56	168.22	1	↓ MOL2 SDF SMILES Flexibase

62916723

Analogs

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Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole 5-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	0.85	2.57	-45.97	2	4	1	56	182.247	2	↓ MOL2 SDF SMILES Flexibase

62916725

Analogs

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Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole 5-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	0.85	2.6	-44.83	2	4	1	56	182.247	2	↓ MOL2 SDF SMILES Flexibase

62916738

Analogs

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Popular Name: 3-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-methyl-5-[(3S)-3-propylpyrroli…

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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	3.33	-46.3	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62916741

Analogs

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Popular Name: 3-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-methyl-5-[(3R)-3-propylpyrroli…

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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	3.36	-45.1	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62916867

Analogs

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Popular Name: 3-tert-butyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-methylpyr…

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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)	2.25	2.81	-44.96	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

62916869

Analogs

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Popular Name: 3-tert-butyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-methylpyr…

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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)	2.25	2.81	-44.82	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

62916872

Analogs

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Popular Name: 3-tert-butyl-5-[(3S)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-ethylpyrr…

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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)	2.58	4.2	-45.33	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62916874

Analogs

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Popular Name: 3-tert-butyl-5-[(3R)-3-ethylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-ethylpyrr…

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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)	2.58	4.22	-44.15	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62916886

Analogs

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Popular Name: 3-tert-butyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-propylpyr…

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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)	3.14	4.96	-45.6	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62916889

Analogs

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Popular Name: 3-tert-butyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-propylpyr…

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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)	3.14	4.98	-44.37	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62917857

Analogs

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Popular Name: 5-[(3R)-3-methylpyrrolidin-3-yl]-3-propyl-1,2,4-oxadiazole 5-[(3R)-3-methylpyrrolidin-3-yl]…

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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)	1.61	2.56	-45.1	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62917859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methylpyrrolidin-3-yl]-3-propyl-1,2,4-oxadiazole 5-[(3S)-3-methylpyrrolidin-3-yl]…

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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)	1.61	2.58	-45.13	2	4	1	56	196.274	3	↓ MOL2 SDF SMILES Flexibase

62917867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-propyl-1,2,4-oxadiazole 5-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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	3.98	-44.41	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

62917870

Analogs

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Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-propyl-1,2,4-oxadiazole 5-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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	3.98	-45.59	2	4	1	56	210.301	4	↓ MOL2 SDF SMILES Flexibase

62917878

Analogs

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Popular Name: 3-propyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-propyl-5-[(3R)-3-propylpyrroli…

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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)	2.49	4.74	-44.74	2	4	1	56	224.328	5	↓ MOL2 SDF SMILES Flexibase

62917882

Analogs

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Popular Name: 3-propyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-propyl-5-[(3S)-3-propylpyrroli…

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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)	2.49	4.73	-45.88	2	4	1	56	224.328	5	↓ MOL2 SDF SMILES Flexibase

62918202

Analogs

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Popular Name: 5-[(3S)-3-methylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-methylpyrrolidin-3-yl]…

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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)	1.65	2.09	-47.79	2	4	1	56	236.217	3	↓ MOL2 SDF SMILES Flexibase

62918205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3R)-3-methylpyrrolidin-3-yl]…

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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)	1.65	2.08	-46.91	2	4	1	56	236.217	3	↓ MOL2 SDF SMILES Flexibase

62918218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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	3.47	-48.46	2	4	1	56	250.244	4	↓ MOL2 SDF SMILES Flexibase

62918221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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	3.5	-46.29	2	4	1	56	250.244	4	↓ MOL2 SDF SMILES Flexibase

62918223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-propylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-propylpyrrolidin-3-yl]…

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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)	2.54	4.24	-48.94	2	4	1	56	264.271	5	↓ MOL2 SDF SMILES Flexibase

62918225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-propylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3R)-3-propylpyrrolidin-3-yl]…

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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)	2.54	4.26	-46.51	2	4	1	56	264.271	5	↓ MOL2 SDF SMILES Flexibase

62918240

Analogs

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Popular Name: 3-(2-methoxyethyl)-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-(2-methoxyethyl)-5-[(3S)-3-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)	0.71	0.88	-46.26	2	5	1	65	212.273	4	↓ MOL2 SDF SMILES Flexibase

62918243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyethyl)-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-oxadiazole 3-(2-methoxyethyl)-5-[(3R)-3-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)	0.71	0.87	-46.36	2	5	1	65	212.273	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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