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ZINC Item

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54660658

Analogs

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Popular Name: (5-chloro-2-methoxy-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (5-chloro-2-methoxy-phenyl)-[(3R…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.55	-13.58	0	6	0	68	335.791	3	↓ MOL2 SDF SMILES Flexibase

54660660

Analogs

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Popular Name: (5-chloro-2-methoxy-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (5-chloro-2-methoxy-phenyl)-[(3S…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.56	-12.15	0	6	0	68	335.791	3	↓ MOL2 SDF SMILES Flexibase

54660766

Analogs

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Popular Name: (3-methyl-2-nitro-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-methyl-2-nitro-phenyl)-[(3S)-…

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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)	1.29	7.11	-22.3	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54660768

Analogs

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Popular Name: (3-methyl-2-nitro-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-methyl-2-nitro-phenyl)-[(3R)-…

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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)	1.29	7.12	-18.94	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54660799

Analogs

4585499
4585502
4798314

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Popular Name: (4-methyl-3-nitro-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-methyl-3-nitro-phenyl)-[(3S)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.72	-19.12	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54660801

Analogs

4585499
4585502
4798314

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-3-nitro-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-methyl-3-nitro-phenyl)-[(3R)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.73	-15.3	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54660852

Analogs

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Popular Name: [2-(difluoromethoxy)phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone [2-(difluoromethoxy)phenyl]-[(3R…

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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)	2.10	5.32	-15.62	0	6	0	68	337.326	4	↓ MOL2 SDF SMILES Flexibase

54660854

Analogs

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Popular Name: [2-(difluoromethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone [2-(difluoromethoxy)phenyl]-[(3S…

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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)	2.10	5.33	-13.78	0	6	0	68	337.326	4	↓ MOL2 SDF SMILES Flexibase

54661212

Analogs

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Popular Name: (2,5-dichlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,5-dichlorophenyl)-[(3R)-3-(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)	2.27	6.47	-11.49	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661214

Analogs

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Popular Name: (2,5-dichlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,5-dichlorophenyl)-[(3S)-3-(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)	2.27	6.43	-11.61	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661368

Analogs

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Popular Name: (2-chloro-4,5-difluoro-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2-chloro-4,5-difluoro-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)	1.84	6.06	-11.06	0	5	0	59	341.745	2	↓ MOL2 SDF SMILES Flexibase

54661370

Analogs

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Popular Name: (2-chloro-4,5-difluoro-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2-chloro-4,5-difluoro-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)	1.84	6.08	-9.54	0	5	0	59	341.745	2	↓ MOL2 SDF SMILES Flexibase

54661372

Analogs

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Popular Name: (2,3-dichlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,3-dichlorophenyl)-[(3R)-3-(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)	2.24	6.42	-14.72	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dichlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,3-dichlorophenyl)-[(3S)-3-(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)	2.24	6.38	-15.04	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661393

Analogs

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Popular Name: (4-methoxy-3-nitro-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-methoxy-3-nitro-phenyl)-[(3R)…

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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)	0.93	6.23	-17.65	0	9	0	114	346.343	4	↓ MOL2 SDF SMILES Flexibase

54661395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxy-3-nitro-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-methoxy-3-nitro-phenyl)-[(3S)…

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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)	0.93	6.23	-21.28	0	9	0	114	346.343	4	↓ MOL2 SDF SMILES Flexibase

54661486

Analogs

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Popular Name: (3,5-dichlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3,5-dichlorophenyl)-[(3R)-3-(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)	2.27	6.46	-8.79	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dichlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3,5-dichlorophenyl)-[(3S)-3-(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)	2.27	6.46	-10.41	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661491

Analogs

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Popular Name: (3,5-dimethylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3,5-dimethylphenyl)-[(3S)-3-(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)	1.81	6.73	-12.34	0	5	0	59	299.374	2	↓ MOL2 SDF SMILES Flexibase

54661492

Analogs

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Popular Name: (3,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3,5-dimethylphenyl)-[(3R)-3-(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)	1.81	6.74	-10.31	0	5	0	59	299.374	2	↓ MOL2 SDF SMILES Flexibase

54661502

Analogs

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Popular Name: (3-methyl-4-nitro-phenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-methyl-4-nitro-phenyl)-[(3S)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.73	-14.1	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54661504

Analogs

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Popular Name: (3-methyl-4-nitro-phenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-methyl-4-nitro-phenyl)-[(3R)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.74	-12.03	0	8	0	105	330.344	3	↓ MOL2 SDF SMILES Flexibase

54661516

Analogs

35479525

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Popular Name: (2,4-difluorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,4-difluorophenyl)-[(3R)-3-(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)	1.24	5.56	-11.84	0	5	0	59	307.3	2	↓ MOL2 SDF SMILES Flexibase

54661518

Analogs

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Popular Name: (2,4-difluorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,4-difluorophenyl)-[(3S)-3-(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)	1.24	5.57	-14.66	0	5	0	59	307.3	2	↓ MOL2 SDF SMILES Flexibase

54661528

Analogs

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Popular Name: (4-ethylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-ethylphenyl)-[(3S)-3-(3-methy…

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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)	1.90	6.85	-12.12	0	5	0	59	299.374	3	↓ MOL2 SDF SMILES Flexibase

54661530

Analogs

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Popular Name: (4-ethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-ethylphenyl)-[(3R)-3-(3-methy…

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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)	1.90	6.86	-10.1	0	5	0	59	299.374	3	↓ MOL2 SDF SMILES Flexibase

54661550

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(2-nitrophenyl)methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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)	0.89	6.98	-21.79	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661553

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(2-nitrophenyl)methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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)	0.89	6.96	-21.78	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661559

Analogs

4528341
4528344

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(3-nitrophenyl)methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.15	-15.24	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661561

Analogs

4585499
4585502

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(3-nitrophenyl)methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.15	-18.78	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661583

Analogs

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Popular Name: (4-chlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-chlorophenyl)-[(3R)-3-(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)	1.66	5.97	-9.56	0	5	0	59	305.765	2	↓ MOL2 SDF SMILES Flexibase

54661585

Analogs

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Popular Name: (4-chlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-chlorophenyl)-[(3S)-3-(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)	1.66	5.97	-11.55	0	5	0	59	305.765	2	↓ MOL2 SDF SMILES Flexibase

54661609

Analogs

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Popular Name: (2-ethoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2-ethoxyphenyl)-[(3S)-3-(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)	1.92	6	-15.4	0	6	0	68	315.373	4	↓ MOL2 SDF SMILES Flexibase

54661611

Analogs

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Popular Name: (2-ethoxyphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2-ethoxyphenyl)-[(3R)-3-(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)	1.92	6.02	-13.33	0	6	0	68	315.373	4	↓ MOL2 SDF SMILES Flexibase

54661637

Analogs

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Popular Name: (4-tert-butylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-tert-butylphenyl)-[(3R)-3-(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)	2.69	7.77	-9.83	0	5	0	59	327.428	3	↓ MOL2 SDF SMILES Flexibase

54661639

Analogs

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Popular Name: (4-tert-butylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (4-tert-butylphenyl)-[(3S)-3-(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)	2.69	7.77	-11.81	0	5	0	59	327.428	3	↓ MOL2 SDF SMILES Flexibase

54661641

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(4-nitrophenyl)methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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)	0.94	6.16	-12.35	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661643

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(4-nitrophenyl)methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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)	0.94	6.16	-14.34	0	8	0	105	316.317	3	↓ MOL2 SDF SMILES Flexibase

54661652

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[2-(trifluoromethyl)phenyl]methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.41	-15.81	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661654

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[2-(trifluoromethyl)phenyl]methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.38	-16.08	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661656

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[4-(trifluoromethyl)phenyl]methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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)	1.88	6.45	-10.03	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661658

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[4-(trifluoromethyl)phenyl]methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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)	1.88	6.45	-12.1	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661659

Analogs

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Popular Name: (3-chlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-chlorophenyl)-[(3R)-3-(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)	1.64	5.96	-10.67	0	5	0	59	305.765	2	↓ MOL2 SDF SMILES Flexibase

54661661

Analogs

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Popular Name: (3-chlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (3-chlorophenyl)-[(3S)-3-(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)	1.64	5.96	-13.22	0	5	0	59	305.765	2	↓ MOL2 SDF SMILES Flexibase

54661664

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[3-(trifluoromethyl)phenyl]methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.46	-11.52	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661665

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-[3-(trifluoromethyl)phenyl]methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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	6.46	-14.3	0	5	0	59	339.317	3	↓ MOL2 SDF SMILES Flexibase

54661688

Analogs

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Popular Name: (2,4-dichlorophenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,4-dichlorophenyl)-[(3R)-3-(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)	2.27	6.43	-10.18	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661690

Analogs

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Popular Name: (2,4-dichlorophenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methanone (2,4-dichlorophenyl)-[(3S)-3-(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)	2.27	6.43	-12.64	0	5	0	59	340.21	2	↓ MOL2 SDF SMILES Flexibase

54661741

Analogs

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Popular Name: [(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(2-propylsulfonylphenyl)methanone [(3S)-3-(3-methyl-1,2,4-oxadiazo…

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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)	1.12	5.83	-19.54	0	7	0	93	377.466	5	↓ MOL2 SDF SMILES Flexibase

54661743

Analogs

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Popular Name: [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(2-propylsulfonylphenyl)methanone [(3R)-3-(3-methyl-1,2,4-oxadiazo…

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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)	1.12	5.85	-22.46	0	7	0	93	377.466	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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