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ZINC Item

Suppliers, Protomers, & Similar Substances

4969550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(3-methoxyphenyl)-3-[3-(2-thie…

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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	4.75	-13.09	1	6	0	77	329.381	6	↓ MOL2 SDF SMILES Flexibase

71845828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromo-4-methyl-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(3-bromo-4-methyl-phenyl)-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)	4.27	6.64	-11.74	1	5	0	68	392.278	5	↓ MOL2 SDF SMILES Flexibase

6729170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(3-chloro-4-methoxy-phenyl)-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)	3.75	-1.98	-15.42	1	6	0	77	363.826	6	↓ MOL2 SDF SMILES Flexibase

4969544

Analogs

4969548

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(3-chloro-4-fluoro-phenyl)-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)	3.85	-1.31	-14.42	1	5	0	68	351.79	5	↓ MOL2 SDF SMILES Flexibase

7945328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(3-chloro-4-methylphenyl)-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)	4.14	-1.73	-13.32	1	5	0	68	347.827	5	↓ MOL2 SDF SMILES Flexibase

41184205

Analogs

21589171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(4-chloro-2-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	6.86	-12.31	1	5	0	68	347.827	5	↓ MOL2 SDF SMILES Flexibase

7957175

Analogs

21589171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(5-chloro-2-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	-1.49	-12.83	1	5	0	68	347.827	5	↓ MOL2 SDF SMILES Flexibase

7947219

Analogs

21589171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(3-chloro-2-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.11	-1.5	-11.32	1	5	0	68	347.827	5	↓ MOL2 SDF SMILES Flexibase

21523967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(4-chlorophenyl)-3-(3-(thiophe…

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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)	3.76	6.15	-13.58	1	5	0	68	333.8	5	↓ MOL2 SDF SMILES Flexibase

4969541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(3-chlorophenyl)-3-[3-(2-thien…

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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)	3.74	-2.03	-13.28	1	5	0	68	333.8	5	↓ MOL2 SDF SMILES Flexibase

428798

Analogs

4969548
21599131

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide N-(4-fluorophenyl)-3-[3-(2-thien…

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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)	3.25	-1.15	-12.57	1	5	0	68	317.345	5	↓ MOL2 SDF SMILES Flexibase

6729176

Analogs

4969548

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(2-fluorophenyl)-3-[3-(2-thien…

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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)	3.20	-1.11	-10.9	1	5	0	68	317.345	5	↓ MOL2 SDF SMILES Flexibase

32768062

Analogs

21589024

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(4-tert-butylphenyl)-3-[3-(2-t…

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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)	4.79	7.96	-13.03	1	5	0	68	355.463	6	↓ MOL2 SDF SMILES Flexibase

21633713

Analogs

32768062
21589024

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(4-isopropylphenyl)-3-[3-(2-th…

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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)	4.60	7.57	-13.2	1	5	0	68	341.436	6	↓ MOL2 SDF SMILES Flexibase

7950807

Analogs

21589024
21601384
21633713
32768062

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(4-ethylphenyl)-3-(3-(thiophen…

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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)	4.00	-1.41	-11.79	1	5	0	68	327.409	6	↓ MOL2 SDF SMILES Flexibase

15669572

Analogs

7752357

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(2,3-dimethylphenyl)-3-(3-(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)	3.88	7.07	-12.01	1	5	0	68	327.409	5	↓ MOL2 SDF SMILES Flexibase

20894272

Analogs

21589024
7756249

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(3,5-dimethylphenyl)-3-(3-(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)	3.91	6.95	-13.48	1	5	0	68	327.409	5	↓ MOL2 SDF SMILES Flexibase

7752357

Analogs

15669572

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(2,5-dimethylphenyl)-3-(3-(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)	3.91	-1.03	-11.91	1	5	0	68	327.409	5	↓ MOL2 SDF SMILES Flexibase

7070295

Analogs

21589171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-(2,4-dimethylphenyl)-3-(3-(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)	3.91	-1.02	-11.89	1	5	0	68	327.409	5	↓ MOL2 SDF SMILES Flexibase

36873682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-(3,4-dihydro-2H-quinolin-1-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)	3.17	8.16	-12.88	0	5	0	59	339.42	4	↓ MOL2 SDF SMILES Flexibase

12768808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-indolin-1-yl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-indolin-1-yl-3-[3-(2-thienyl)-…

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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	7.6	-10.26	0	5	0	59	325.393	4	↓ MOL2 SDF SMILES Flexibase

41184203

Analogs

21599131
21601384
21939529

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-phenyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-methyl-N-phenyl-3-[3-(2-thieny…

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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)	2.66	7.18	-12.62	0	5	0	59	313.382	5	↓ MOL2 SDF SMILES Flexibase

7071427

Analogs

21589024
21601384

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-N-(p-tolyl)propanamide 3-(3-(thiophen-2-yl)-1,2,4-oxadi…

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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)	3.53	-1.56	-11.95	1	5	0	68	313.382	5	↓ MOL2 SDF SMILES Flexibase

7756249

Analogs

20894272
21589024

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-N-(m-tolyl)propanamide 3-(3-(thiophen-2-yl)-1,2,4-oxadi…

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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)	3.51	-1.58	-11.93	1	5	0	68	313.382	5	↓ MOL2 SDF SMILES Flexibase

4969568

Analogs

21589171

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(o-tolyl)-3-[3-(2-thienyl)-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)	3.48	-1.35	-11.85	1	5	0	68	313.382	5	↓ MOL2 SDF SMILES Flexibase

14129179

Analogs

21601384

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propanamide N-phenyl-3-(3-(thiophen-2-yl)-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)	3.08	5.66	-11.92	1	5	0	68	299.355	5	↓ MOL2 SDF SMILES Flexibase

7850456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-(4-methoxyphenyl)piperazin-1-yl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propan-1-one 1-(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)	3.28	-3.4	-12.89	0	7	0	71	398.488	6	↓ MOL2 SDF SMILES Flexibase

41184201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azepan-1-yl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-(azepan-1-yl)-3-[3-(2-thienyl)…

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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)	3.04	6.69	-10.51	0	5	0	59	305.403	4	↓ MOL2 SDF SMILES Flexibase

21636398

Analogs

20894256

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-chlorophenyl)ethyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(3-chlorophenyl)ethyl]-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)	3.84	6.86	-13.51	1	5	0	68	361.854	7	↓ MOL2 SDF SMILES Flexibase

41184199

Analogs

41184197

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-methyl-1-piperidyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-[(3S)-3-methyl-1-piperidyl]-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)	2.78	6.31	-10.75	0	5	0	59	305.403	4	↓ MOL2 SDF SMILES Flexibase

41184197

Analogs

41184199

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-methyl-1-piperidyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-[(3R)-3-methyl-1-piperidyl]-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)	2.78	6.31	-10.78	0	5	0	59	305.403	4	↓ MOL2 SDF SMILES Flexibase

58246670

Analogs

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Popular Name: 1-(4-benzyl-1-piperidyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-(4-benzyl-1-piperidyl)-3-[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)	4.21	9.92	-12.04	0	5	0	59	381.501	6	↓ MOL2 SDF SMILES Flexibase

41184195

Analogs

71867834
41184138
41184187

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-butyl-N-methyl-3-[3-(2-thienyl…

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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)	3.07	6.23	-11.2	0	5	0	59	293.392	7	↓ MOL2 SDF SMILES Flexibase

41184193

Analogs

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Popular Name: N-pentyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-pentyl-3-[3-(2-thienyl)-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)	3.33	4.88	-11.07	1	5	0	68	293.392	8	↓ MOL2 SDF SMILES Flexibase

41184191

Analogs

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Popular Name: N-isopentyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-isopentyl-3-[3-(2-thienyl)-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)	3.04	4.61	-11.05	1	5	0	68	293.392	7	↓ MOL2 SDF SMILES Flexibase

7955081

Analogs

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Popular Name: N-cycloheptyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide N-cycloheptyl-3-[3-(2-thienyl)-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)	3.80	-2.93	-10.32	1	5	0	68	319.43	5	↓ MOL2 SDF SMILES Flexibase

21523969

Analogs

41184134
41184136

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Popular Name: N-tert-butyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-tert-butyl-3-[3-(2-thienyl)-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)	2.57	4.02	-11.18	1	5	0	68	279.365	5	↓ MOL2 SDF SMILES Flexibase

12768776

Analogs

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Popular Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-(6,7-dimethoxy-3,4-dihydro-1H-…

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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	7.25	-15.3	0	7	0	78	399.472	6	↓ MOL2 SDF SMILES Flexibase

41184189

Analogs

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Popular Name: N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(4-methoxyphenoxy)ethyl]-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)	3.12	4.47	-14.02	1	7	0	86	373.434	9	↓ MOL2 SDF SMILES Flexibase

28645326

Analogs

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Popular Name: N-(3-phenylpropyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-(3-phenylpropyl)-3-[3-(2-thien…

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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)	3.71	7.13	-12.26	1	5	0	68	341.436	8	↓ MOL2 SDF SMILES Flexibase

41184187

Analogs

41184195
41184138

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N,N-diethyl-3-[3-(2-thienyl)-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)	2.38	5.6	-10.8	0	5	0	59	279.365	6	↓ MOL2 SDF SMILES Flexibase

12020402

Analogs

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Popular Name: N-(3-methoxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(3-methoxypropyl)-4-(1,1,3-tri…

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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)	0.32	-5.42	-21.61	1	7	0	93	326.374	6	↓ MOL2 SDF SMILES Flexibase

12020397

Analogs

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Popular Name: N-(2-methoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(2-methoxyethyl)-4-(1,1,3-trio…

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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)	0.05	-5.48	-21.6	1	7	0	93	312.347	5	↓ MOL2 SDF SMILES Flexibase

7955717

Analogs

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Popular Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propan-1-one 1-(4-pyrimidin-2-ylpiperazin-1-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)	1.93	-4.27	-14.75	0	8	0	88	370.438	5	↓ MOL2 SDF SMILES Flexibase

27156716

Analogs

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Popular Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one 1-[4-(furan-2-carbonyl)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)	1.81	5.9	-15.93	0	8	0	93	386.433	5	↓ MOL2 SDF SMILES Flexibase

21523981

Analogs

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Popular Name: 1-(4-(2-fluorophenyl)piperazin-1-yl)-3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)propan-1-one 1-(4-(2-fluorophenyl)piperazin-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)	3.34	7.24	-12.28	0	6	0	62	386.452	5	↓ MOL2 SDF SMILES Flexibase

12020394

Analogs

12020390

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Popular Name: N-sec-butyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-sec-butyl-4-(1,1,3-trioxo-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)	1.27	-4.14	-21.12	1	6	0	84	310.375	4	↓ MOL2 SDF SMILES Flexibase

12020386

Analogs

12020489

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-butyl-4-(1,1,3-trioxo-1,2-thia…

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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)	1.50	-4.62	-20.92	1	6	0	84	310.375	5	↓ MOL2 SDF SMILES Flexibase

7849539

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.02	-2.05	-11.07	0	6	0	62	396.516	5	↓ MOL2 SDF SMILES Flexibase

7752094

Analogs

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Popular Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propan-1-one 1-[4-(2-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)	3.23	-3.11	-12.45	0	7	0	71	398.488	6	↓ MOL2 SDF SMILES Flexibase

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