ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11815092

Analogs

11815094

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(methoxymethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine (2S)-2-(methoxymethyl)-1-[[3-(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)	2.79	0.15	-38.63	1	6	1	62	318.397	6	↓ MOL2 SDF SMILES Flexibase

11815094

Analogs

11815092

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(methoxymethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine (2R)-2-(methoxymethyl)-1-[[3-(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)	2.79	-0.37	-39.04	1	6	1	62	318.397	6	↓ MOL2 SDF SMILES Flexibase

11816079

Analogs

11816081
39307032
39307034

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinol 1-{[3-(4-methoxyphenyl)-1,2,4-ox…

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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	-2.56	-42.89	2	6	1	73	290.343	4	↓ MOL2 SDF SMILES Flexibase

11816081

Analogs

39307032
39307034
11816079

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-piperidinol 1-{[3-(4-methoxyphenyl)-1,2,4-ox…

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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	-2.88	-42.52	2	6	1	73	290.343	4	↓ MOL2 SDF SMILES Flexibase

11838357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide 1-[[3-[4-(trifluoromethyl)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)	2.25	-0.93	-53.76	3	6	1	86	355.34	5	↓ MOL2 SDF SMILES Flexibase

11840173

Analogs

11840174

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperidyl]ethyl]acetamide N-[2-[(2R)-1-[[3-(4-methoxypheny…

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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)	2.22	-1.9	-50.88	2	7	1	82	359.45	7	↓ MOL2 SDF SMILES Flexibase

11840174

Analogs

11840173

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperidyl]ethyl]acetamide N-[2-[(2S)-1-[[3-(4-methoxypheny…

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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)	2.22	-1.37	-49.4	2	7	1	82	359.45	7	↓ MOL2 SDF SMILES Flexibase

11841337

Analogs

11841339
42163236
42163238

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	2.47	-50.76	1	8	1	96	388.444	9	↓ MOL2 SDF SMILES Flexibase

11841339

Analogs

42163236
42163238
11841337

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	2.12	-50.2	1	8	1	96	388.444	9	↓ MOL2 SDF SMILES Flexibase

11842609

Analogs

11842610
48581131
48581134

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinol 1-[(3-phenyl-1,2,4-oxadiazol-5-y…

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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	-2.59	-41.38	2	5	1	64	260.317	3	↓ MOL2 SDF SMILES Flexibase

11842610

Analogs

48581131
48581134
11842609

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinol 1-[(3-phenyl-1,2,4-oxadiazol-5-y…

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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	-2.91	-41.07	2	5	1	64	260.317	3	↓ MOL2 SDF SMILES Flexibase

11842655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]ethyl]acetamide N-[2-[1-[[3-(2,3,4-trimethoxyphe…

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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)	2.05	-0.44	-56.29	2	9	1	100	419.502	9	↓ MOL2 SDF SMILES Flexibase

11843940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-diallyl-1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine 2,2-diallyl-1-[[3-(2,3,4-trimeth…

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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)	4.47	2.99	-43.84	1	7	1	71	414.526	10	↓ MOL2 SDF SMILES Flexibase

11999376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]ethyl]acetamide N-[2-[1-[[3-(3-chlorophenyl)-1,2…

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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)	2.88	-1.7	-51.33	2	6	1	72	363.869	6	↓ MOL2 SDF SMILES Flexibase

12019934

Analogs

12019937

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]propan-1-ol 3-[(3S)-1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	-2.74	-47.18	2	5	1	64	336.843	6	↓ MOL2 SDF SMILES Flexibase

12019937

Analogs

12019934

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidyl]propan-1-ol 3-[(3R)-1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	-2.27	-47.21	2	5	1	64	336.843	6	↓ MOL2 SDF SMILES Flexibase

12026047

Analogs

12026052

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]-2-methyl-propan-1-ol (1R)-1-[1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	-1.8	-46.79	2	5	1	64	350.87	5	↓ MOL2 SDF SMILES Flexibase

12026052

Analogs

12026047

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]-2-methyl-propan-1-ol (1S)-1-[1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	-1.38	-45.07	2	5	1	64	350.87	5	↓ MOL2 SDF SMILES Flexibase

12227551

Analogs

12227557

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperidyl]methanol [(2R)-1-[[3-(2,3,4-trimethoxyphe…

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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)	1.94	-1.3	-43.42	2	8	1	91	364.422	7	↓ MOL2 SDF SMILES Flexibase

12227557

Analogs

12227551

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperidyl]methanol [(2S)-1-[[3-(2,3,4-trimethoxyphe…

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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)	1.94	-0.99	-43.21	2	8	1	91	364.422	7	↓ MOL2 SDF SMILES Flexibase

12228605

Analogs

12228611
44514064

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-piperidine (3R)-1-[[3-(4-chlorophenyl)-1,2,…

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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)	3.68	-0.13	-41.53	1	4	1	43	292.79	3	↓ MOL2 SDF SMILES Flexibase

12228611

Analogs

44514064
12228605

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-piperidine (3S)-1-[[3-(4-chlorophenyl)-1,2,…

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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)	3.68	0.35	-41.58	1	4	1	43	292.79	3	↓ MOL2 SDF SMILES Flexibase

12228615

Analogs

12228620

Draw Identity 99% 90% 80% 70%

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

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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)	2.67	0.15	-53	2	6	1	72	383.394	6	↓ MOL2 SDF SMILES Flexibase

12228620

Analogs

12228615

Draw Identity 99% 90% 80% 70%

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

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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)	2.67	0.5	-53.53	2	6	1	72	383.394	6	↓ MOL2 SDF SMILES Flexibase

12228838

Analogs

36753991
36884600
44514097

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-piperidine 1-[[3-(3-chlorophenyl)-1,2,4-oxa…

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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)	3.65	-0.09	-41.66	1	4	1	43	292.79	3	↓ MOL2 SDF SMILES Flexibase

13007960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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)	1.55	4.49	-45.61	2	5	1	64	294.762	3	↓ MOL2 SDF SMILES Flexibase

36753827

Analogs

40540286
40958585
44514034

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinamine 1-{[3-(4-fluorophenyl)-1,2,4-oxa…

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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)	1.28	3.84	-43.89	3	5	1	69	277.323	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.28	4.16	-116.94	4	5	2	71	278.331	3	↓ MOL2 SDF SMILES Flexibase

36753852

Analogs

23128820

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-p-Tolyl-[1,2,4]oxadiazol-5-ylmethyl)-piperidin-4-ylamine 1-(3-p-Tolyl-[1,2,4]oxadiazol-5-…

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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	4.45	-42.52	3	5	1	69	273.36	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.56	4.77	-114.92	4	5	2	71	274.368	3	↓ MOL2 SDF SMILES Flexibase

36753913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-o-Tolyl-[1,2,4]oxadiazol-5-ylmethyl)-piperidin-4-ylamine 1-(3-o-Tolyl-[1,2,4]oxadiazol-5-…

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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)	1.52	4.37	-42.13	3	5	1	69	273.36	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.52	4.69	-115.65	4	5	2	71	274.368	3	↓ MOL2 SDF SMILES Flexibase

36753989

Analogs

44514099
44975475
115077

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine 1-[[3-(2-chlorophenyl)-1,2,4-oxa…

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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)	1.75	4.76	-43.65	3	5	1	69	293.778	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.75	5.08	-116.66	4	5	2	71	294.786	3	↓ MOL2 SDF SMILES Flexibase

36753991

Analogs

40959256
20780968
12595439

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine 1-[[3-(3-chlorophenyl)-1,2,4-oxa…

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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)	1.77	4.61	-42.04	3	5	1	69	293.778	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.77	4.94	-114.8	4	5	2	71	294.786	3	↓ MOL2 SDF SMILES Flexibase

36754020

Analogs

40958269
11701795
23129085

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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)	1.79	4.29	-43.35	3	5	1	69	293.778	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.79	4.61	-116.45	4	5	2	71	294.786	3	↓ MOL2 SDF SMILES Flexibase

36754157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine 1-[[3-(3-bromophenyl)-1,2,4-oxad…

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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	4.71	-41.97	3	5	1	69	338.229	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.90	5.03	-114.74	4	5	2	71	339.237	3	↓ MOL2 SDF SMILES Flexibase

36754283

Analogs

39519075
40957952

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinamine 1-{[3-(4-methoxyphenyl)-1,2,4-ox…

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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)	1.17	3.08	-43.49	3	6	1	79	289.359	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.17	3.4	-116.13	4	6	2	80	290.367	4	↓ MOL2 SDF SMILES Flexibase

36754635

Analogs

23128820

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine 1-[(3-phenyl-1,2,4-oxadiazol-5-y…

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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	3.77	-42.6	3	5	1	69	259.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.12	4.09	-114.94	4	5	2	71	260.341	3	↓ MOL2 SDF SMILES Flexibase

61332655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]acetamide 2-[1-[[3-(2-methoxyphenyl)-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)	1.82	4.14	-45.87	3	7	1	96	331.396	6	↓ MOL2 SDF SMILES Flexibase

66665427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-5-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]-1,2,4-oxadiazole 3-(2,4-dimethoxyphenyl)-5-[[(2S,…

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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)	3.46	6.72	-39.81	1	6	1	62	332.424	5	↓ MOL2 SDF SMILES Flexibase

66665428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-5-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]-1,2,4-oxadiazole 3-(2,4-dimethoxyphenyl)-5-[[(2S,…

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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)	3.46	6.4	-37.67	1	6	1	62	332.424	5	↓ MOL2 SDF SMILES Flexibase

66665429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-5-[[(2R,6R)-2,6-dimethyl-1-piperidyl]methyl]-1,2,4-oxadiazole 3-(2,4-dimethoxyphenyl)-5-[[(2R,…

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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)	3.46	6.62	-37.91	1	6	1	62	332.424	5	↓ MOL2 SDF SMILES Flexibase

69663208

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	5.29	-40.32	2	5	1	64	320.388	5	↓ MOL2 SDF SMILES Flexibase

69663211

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	5.63	-39.78	2	5	1	64	320.388	5	↓ MOL2 SDF SMILES Flexibase

65537617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (2R)-1-[[3-(3-fluoro-4-methyl-ph…

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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	4.14	-42.16	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	2.08	-14.89	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

65537620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (2S)-1-[[3-(3-fluoro-4-methyl-ph…

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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	4.45	-40.96	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.58	2.33	-13.82	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

65549019

Analogs

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Popular Name: (2R)-1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (2R)-1-[[3-(4-ethoxyphenyl)-1,2,…

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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)	2.47	3.66	-42.06	3	7	1	96	331.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	1.62	-14.6	2	7	0	94	330.388	6	↓ MOL2 SDF SMILES Flexibase

65549021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (2S)-1-[[3-(4-ethoxyphenyl)-1,2,…

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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)	2.47	3.97	-42.04	3	7	1	96	331.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	1.85	-14.74	2	7	0	94	330.388	6	↓ MOL2 SDF SMILES Flexibase

65564737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]-1,2,4-oxadiazole 3-phenyl-5-[(1S)-1-[(3S)-3-(trif…

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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)	4.11	8.19	-41.85	1	4	1	43	326.342	4	↓ MOL2 SDF SMILES Flexibase

65564739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-[(1R)-1-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethyl]-1,2,4-oxadiazole 3-phenyl-5-[(1R)-1-[(3S)-3-(trif…

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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)	4.11	8.21	-44.43	1	4	1	43	326.342	4	↓ MOL2 SDF SMILES Flexibase

65590601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	4.96	-43.72	3	6	1	86	335.815	4	↓ MOL2 SDF SMILES Flexibase

65590603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	4.45	-47.11	3	6	1	86	335.815	4	↓ MOL2 SDF SMILES Flexibase

65590605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[[3-(3-chlorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	4.78	-45.63	3	6	1	86	335.815	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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