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ZINC Item

Suppliers, Protomers, & Similar Substances

44018329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzylpiperazin-1-yl)-N-[2-chloro-5-hydroxy-4-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadi 2-(4-benzylpiperazin-1-yl)-N-[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)	5.20	8.95	-47.16	3	9	1	105	603.021	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	9	-44.52	3	9	1	105	603.021	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	6.73	-12.22	2	9	0	104	602.013	9	↓ MOL2 SDF SMILES Flexibase

10499990

Analogs

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Popular Name: [2-(difluoromethylsulfanyl)phenyl]carbamoylmethyl [2-(difluoromethylsulfanyl)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)	2.93	1.38	-17.11	1	8	0	103	435.408	9	↓ MOL2 SDF SMILES Flexibase

10500008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)carbamoylmethyl (3-cyano-1-cyclopentyl-4,5-dimet…

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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)	2.78	3.16	-23.49	1	10	0	132	463.494	8	↓ MOL2 SDF SMILES Flexibase

10500012

Analogs

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Popular Name: ethyl ethyl

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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	2.33	-18.18	1	10	0	133	427.413	10	↓ MOL2 SDF SMILES Flexibase

10500017

Analogs

22283223

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromo-4-fluoro-phenyl)methyl (2-bromo-4-fluoro-phenyl)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)	3.68	1.57	-13	0	6	0	74	407.195	6	↓ MOL2 SDF SMILES Flexibase

33817754

Analogs

40519993
40520050
42920577
43009912
43073482

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-acetylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-acetylpiperazin-1-yl)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)	-0.70	1.33	-15.95	0	8	0	84	303.322	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.70	3.73	-52.55	1	8	1	86	304.33	3	↓ MOL2 SDF SMILES Flexibase

33817755

Analogs

42920577
42966601
43009912
43073482
22924230

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-benzylpiperazin-1-yl)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)	1.34	5.83	-42.36	1	7	1	69	352.418	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	3.58	-8.48	0	7	0	67	351.41	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	6.12	-41.14	1	7	1	69	352.418	5	↓ MOL2 SDF SMILES Flexibase

33817756

Analogs

43021962
43024757
43076901
43076904
29502246

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-piperidylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(1-piperidylmethyl)-5-(4-pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	5.25	-38.36	1	6	1	65	261.305	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.96	2.71	-7.81	0	6	0	64	260.297	3	↓ MOL2 SDF SMILES Flexibase

33817757

Analogs

43021962
43024757
43076901
43076904
29502298

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-methyl-1-piperidyl]methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[[(3R)-3-methyl-1-piperidyl]me…

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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)	1.20	5.55	-38.16	1	6	1	65	275.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	3.06	-7.52	0	6	0	64	274.324	3	↓ MOL2 SDF SMILES Flexibase

33817758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-3-methyl-1-piperidyl]methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[[(3S)-3-methyl-1-piperidyl]me…

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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)	1.20	5.85	-38.49	1	6	1	65	275.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	3.29	-7.66	0	6	0	64	274.324	3	↓ MOL2 SDF SMILES Flexibase

33817759

Analogs

43021962
43024757
30587286
29502246

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-benzyl-1-piperidyl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-benzyl-1-piperidyl)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)	2.63	9.46	-41.97	1	6	1	65	351.43	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	6.91	-8.61	0	6	0	64	350.422	5	↓ MOL2 SDF SMILES Flexibase

33817760

Analogs

42920577
42966601
43009912
43011335
43073482

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(3,4-dihydro-1H-isoquinolin-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)	1.44	7.1	-43.02	1	6	1	65	309.349	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.55	-9.76	0	6	0	64	308.341	3	↓ MOL2 SDF SMILES Flexibase

33817761

Analogs

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Popular Name: 3-[(4-methyl-1-piperidyl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-methyl-1-piperidyl)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)	1.20	5.57	-39.02	1	6	1	65	275.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	3.08	-7.66	0	6	0	64	274.324	3	↓ MOL2 SDF SMILES Flexibase

33817762

Analogs

42920577
42966601
43009912
43011335
43073482

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-methylpiperazin-1-yl)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)	-0.06	2.23	-40.98	1	7	1	69	276.32	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.06	-0.12	-8.15	0	7	0	67	275.312	3	↓ MOL2 SDF SMILES Flexibase

33817763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-methyl-1-piperidyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(2R)-2-methyl-1-piperidyl]-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)	1.28	3.89	-8.32	0	6	0	64	260.297	2	↓ MOL2 SDF SMILES Flexibase

33817764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-methyl-1-piperidyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-[(2S)-2-methyl-1-piperidyl]-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)	1.28	3.88	-8.3	0	6	0	64	260.297	2	↓ MOL2 SDF SMILES Flexibase

33817765

Analogs

42966241
42966243
43020311
43020313
43021962

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(azepan-1-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(azepan-1-ylmethyl)-5-(4-pyrid…

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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)	1.46	5.92	-38.72	1	6	1	65	275.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.46	3.69	-7.45	0	6	0	64	274.324	3	↓ MOL2 SDF SMILES Flexibase

33817766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-pyridyl)-3-(thiomorpholinomethyl)-1,3,4-oxadiazol-2-one 5-(4-pyridyl)-3-(thiomorpholinom…

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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)	0.44	2.65	-8.76	0	6	0	64	278.337	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.44	5.06	-42.81	1	6	1	65	279.345	3	↓ MOL2 SDF SMILES Flexibase

34560583

Analogs

1489679

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]phenyl] [4-chloro-2-[[2-oxo-5-[4-(triflu…

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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)	4.95	8.97	-7.96	0	6	0	74	433.169	6	↓ MOL2 SDF SMILES Flexibase

52817428

Analogs

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Popular Name: N-butyl-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide N-butyl-N-methyl-2-(2-oxo-5-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)	2.11	5.81	-16.14	0	6	0	68	289.335	6	↓ MOL2 SDF SMILES Flexibase

52818449

Analogs

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Popular Name: N-[(1R)-1-methylhexyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide N-[(1R)-1-methylhexyl]-2-(2-oxo-…

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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)	3.21	6.3	-15.28	1	6	0	77	317.389	8	↓ MOL2 SDF SMILES Flexibase

52818450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylhexyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide N-[(1S)-1-methylhexyl]-2-(2-oxo-…

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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)	3.21	6.3	-15.36	1	6	0	77	317.389	8	↓ MOL2 SDF SMILES Flexibase

52840124

Analogs

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Popular Name: 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide 2-(2-oxo-5-phenyl-1,3,4-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)	2.34	7.37	-46.19	2	7	1	82	399.496	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	4.94	-16.68	1	7	0	80	398.488	7	↓ MOL2 SDF SMILES Flexibase

52840126

Analogs

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Popular Name: 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)-N-[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide 2-(2-oxo-5-phenyl-1,3,4-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)	2.34	7.35	-45.44	2	7	1	82	399.496	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	5.43	-17.22	1	7	0	80	398.488	7	↓ MOL2 SDF SMILES Flexibase

71531852

Analogs

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Popular Name: 5-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-ol 5-[2-(4-chlorophenyl)ethyl]-1,3,…

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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)	1.55	2.61	-8.57	1	4	0	59	224.647	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.01	0.25	-42.51	0	4	-1	62	223.639	3	↓ MOL2 SDF SMILES Flexibase

11535036

Analogs

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Popular Name: N-[4-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]aminomethyl]phenyl]furan-2-carboxamide N-[4-[[2-(2-oxo-5-phenyl-1,3,4-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)	1.98	-1.99	-20.3	2	9	0	119	418.409	7	↓ MOL2 SDF SMILES Flexibase

11538556

Analogs

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Popular Name: [4-(phenylcarbamoyl)phenyl]methyl [4-(phenylcarbamoyl)phenyl]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)	3.67	0.79	-19.45	1	8	0	103	429.432	8	↓ MOL2 SDF SMILES Flexibase

19449926

Analogs

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Popular Name: N-isopropyl-2-[2-oxo-5-(5-quinolyl)-1,3,4-oxadiazol-3-yl]acetamide N-isopropyl-2-[2-oxo-5-(5-quinol…

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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)	1.36	3.91	-19.37	1	7	0	90	312.329	4	↓ MOL2 SDF SMILES Flexibase

19453029

Analogs

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Popular Name: 3-isopropyl-N-[2-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]ethyl]isoxazole-5-carboxamide 3-isopropyl-N-[2-[2-oxo-5-(2-thi…

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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	3.27	-13.96	1	8	0	103	348.384	6	↓ MOL2 SDF SMILES Flexibase

53361707

Analogs

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Popular Name: 5-(2-furyl)-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3,4-oxadiazol-2-one 5-(2-furyl)-3-[2-oxo-2-(2,4,6-tr…

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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)	2.81	6.57	-13.99	0	6	0	78	312.325	4	↓ MOL2 SDF SMILES Flexibase

53361738

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[5-(2-furyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide N-[(1S)-1-(2,4-dichlorophenyl)et…

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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)	2.81	5.02	-18.31	1	7	0	90	382.203	5	↓ MOL2 SDF SMILES Flexibase

53361739

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[5-(2-furyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide N-[(1R)-1-(2,4-dichlorophenyl)et…

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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)	2.81	4.98	-17.99	1	7	0	90	382.203	5	↓ MOL2 SDF SMILES Flexibase

53361772

Analogs

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Popular Name: 4-[[5-(2-furyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenyl-benzamide 4-[[5-(2-furyl)-2-oxo-1,3,4-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)	2.95	6.54	-16.3	1	7	0	90	361.357	5	↓ MOL2 SDF SMILES Flexibase

53361774

Analogs

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Popular Name: 5-(2-furyl)-3-(2-oxo-2-tetralin-6-yl-ethyl)-1,3,4-oxadiazol-2-one 5-(2-furyl)-3-(2-oxo-2-tetralin-…

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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)	2.80	7.08	-16.05	0	6	0	78	324.336	4	↓ MOL2 SDF SMILES Flexibase

53361817

Analogs

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Popular Name: 5-(2-furyl)-3-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazol-2-one 5-(2-furyl)-3-[[3-(4-isopropylph…

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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	4.98	-13.76	0	8	0	100	352.35	5	↓ MOL2 SDF SMILES Flexibase

53398156

Analogs

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Popular Name: 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one 3-[[4-(4-methoxyphenyl)piperazin…

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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)	2.77	4.61	-10.75	0	7	0	64	372.45	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.77	7.05	-43.25	1	7	1	65	373.458	5	↓ MOL2 SDF SMILES Flexibase

53400543

Analogs

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Popular Name: 3-[(3-chlorobenzothiophen-2-yl)methyl]-5-(2-furyl)-1,3,4-oxadiazol-2-one 3-[(3-chlorobenzothiophen-2-yl)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)	3.87	6.51	-10.63	0	5	0	61	332.768	3	↓ MOL2 SDF SMILES Flexibase

53400978

Analogs

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Popular Name: 2-[[2-[5-(2-furyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3- 2-[[2-[5-(2-furyl)-2-oxo-1,3,4-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)	0.46	0.86	-20.44	3	9	0	133	374.378	5	↓ MOL2 SDF SMILES Flexibase

53400980

Analogs

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Popular Name: 2-[[2-[5-(2-furyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbo 2-[[2-[5-(2-furyl)-2-oxo-1,3,4-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)	0.97	1.41	-20.09	3	9	0	133	388.405	5	↓ MOL2 SDF SMILES Flexibase

20890074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea 3-(4-chlorophenyl)-1-[2-(2-oxo-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)	3.13	4.75	-19.67	2	7	0	89	358.785	5	↓ MOL2 SDF SMILES Flexibase

20894527

Analogs

20894531

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenyl-3-[1-[(2R)-2-(p-tolyl)propanoyl]-4-piperidyl]-1,3,4-oxadiazol-2-one 5-phenyl-3-[1-[(2R)-2-(p-tolyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	9.79	-13.52	0	6	0	68	391.471	4	↓ MOL2 SDF SMILES Flexibase

20894531

Analogs

20894527

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenyl-3-[1-[(2S)-2-(p-tolyl)propanoyl]-4-piperidyl]-1,3,4-oxadiazol-2-one 5-phenyl-3-[1-[(2S)-2-(p-tolyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	9.77	-12.91	0	6	0	68	391.471	4	↓ MOL2 SDF SMILES Flexibase

62288034

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanamide N-[4-(4-benzylpiperazin-1-yl)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)	3.57	8.13	-13.72	1	8	0	84	489.601	8	↓ MOL2 SDF SMILES Flexibase

12039869

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]-propanamide N-(4-methylsulfanylphenyl)-3-[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)	2.61	-2.21	-12.53	1	6	0	77	361.448	6	↓ MOL2 SDF SMILES Flexibase

21531935

Analogs

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Popular Name: 5-(4-fluorophenyl)-3-(4-oxo-4-phenyl-butyl)-1,3,4-oxadiazol-2-one 5-(4-fluorophenyl)-3-(4-oxo-4-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)	3.18	7.97	-14.9	0	5	0	65	326.327	6	↓ MOL2 SDF SMILES Flexibase

21531968

Analogs

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Popular Name: [5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methylBLAHone [5-(4-fluorophenyl)-2-oxo-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)	2.65	6.45	-19.21	1	7	0	94	384.392	3	↓ MOL2 SDF SMILES Flexibase

21531981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-fluorophenyl)-3-[(2-methylthiazol-4-yl)methyl]-1,3,4-oxadiazol-2-one 5-(4-fluorophenyl)-3-[(2-methylt…

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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)	1.97	4.42	-11.38	0	5	0	61	291.307	3	↓ MOL2 SDF SMILES Flexibase

21531996

Analogs

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Popular Name: 5-(4-fluorophenyl)-3-(2-morpholinoethyl)-1,3,4-oxadiazol-2-one 5-(4-fluorophenyl)-3-(2-morpholi…

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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)	1.36	2.1	-7.6	0	6	0	61	293.298	4	↓ MOL2 SDF SMILES Flexibase

21531999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-acetyl-2,4,6-trimethyl-phenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one 3-[(3-acetyl-2,4,6-trimethyl-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)	4.11	8.43	-10.33	0	5	0	65	354.381	4	↓ MOL2 SDF SMILES Flexibase

21532005

Analogs

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Popular Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide N-[3,5-dimethyl-1-(p-tolyl)pyraz…

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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)	2.83	8.04	-22.99	1	8	0	95	421.432	5	↓ MOL2 SDF SMILES Flexibase

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