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ZINC Item

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37227876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 4-ethyl-3-(1,2,4-oxadiazol-3-ylm…

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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)	1.45	2.24	-62.3	0	7	-1	113	295.296	5	↓ MOL2 SDF SMILES Flexibase

37227877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-ethyl-3-[(5-methyl-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)	1.68	2.99	-61.37	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49335391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 3-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.94	2.55	-57.21	0	7	-1	113	295.296	5	↓ MOL2 SDF SMILES Flexibase

49335394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	2.56	-53.92	0	7	-1	113	295.296	5	↓ MOL2 SDF SMILES Flexibase

49335397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2-bromo-5-[(5-ethyl-1,2,4-oxadia…

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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	3.04	-54.35	0	7	-1	113	374.192	5	↓ MOL2 SDF SMILES Flexibase

49335400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-2-methyl-benzoic 5-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.00	3.18	-58.5	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49335403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-4-methyl-benzoic 3-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	3.18	-60.46	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49335406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-2-fluoro-benzoic 5-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	2.58	-58.62	0	7	-1	113	313.286	5	↓ MOL2 SDF SMILES Flexibase

49335409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-4-fluoro-benzoic 3-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	2.58	-52.97	0	7	-1	113	313.286	5	↓ MOL2 SDF SMILES Flexibase

49335412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-chloro-3-[(5-ethyl-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)	2.01	2.96	-52.22	0	7	-1	113	329.741	5	↓ MOL2 SDF SMILES Flexibase

49335416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2-chloro-5-[(5-ethyl-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)	1.23	2.94	-55.23	0	7	-1	113	329.741	5	↓ MOL2 SDF SMILES Flexibase

49335419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-bromo-3-[(5-ethyl-1,2,4-oxadia…

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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)	2.14	3.07	-51.71	0	7	-1	113	374.192	5	↓ MOL2 SDF SMILES Flexibase

49335423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]phenyl]acetic 2-[4-[(5-ethyl-1,2,4-oxadiazol-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)	0.48	3.33	-51.56	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

49336581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 3-[(5-isopropyl-1,2,4-oxadiazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.43	3.15	-56.84	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49336584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-[(5-isopropyl-1,2,4-oxadiazol-…

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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)	1.45	3.16	-53.42	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

37246477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2,4-dimethyl-5-(1,2,4-oxadiazol-…

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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)	1.03	2.29	-63.33	0	7	-1	113	295.296	4	↓ MOL2 SDF SMILES Flexibase

37246479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(5-methyl-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)	1.25	3.04	-62.42	0	7	-1	113	309.323	4	↓ MOL2 SDF SMILES Flexibase

49339818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 3-[(5-propyl-1,2,4-oxadiazol-3-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)	1.45	3.32	-56.63	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

49339819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-[(5-propyl-1,2,4-oxadiazol-3-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)	1.47	3.33	-53.3	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

37309876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 3-(1,2,4-oxadiazol-3-ylmethylsul…

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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)	0.15	1.04	-60.57	0	7	-1	113	267.242	4	↓ MOL2 SDF SMILES Flexibase

37309878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 3-[(5-methyl-1,2,4-oxadiazol-3-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)	0.37	1.79	-57.92	0	7	-1	113	281.269	4	↓ MOL2 SDF SMILES Flexibase

37309994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 4-(1,2,4-oxadiazol-3-ylmethylsul…

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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)	0.17	1.05	-55.72	0	7	-1	113	267.242	4	↓ MOL2 SDF SMILES Flexibase

37310035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2-methoxy-5-(1,2,4-oxadiazol-3-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)	0.24	1.11	-64.29	0	8	-1	122	297.268	5	↓ MOL2 SDF SMILES Flexibase

37310036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2-methoxy-5-[(5-methyl-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)	0.46	1.86	-63.44	0	8	-1	122	311.295	5	↓ MOL2 SDF SMILES Flexibase

37310081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 5-bromo-2-fluoro-3-(1,2,4-oxadia…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.10	1.65	-52.04	0	7	-1	113	364.128	4	↓ MOL2 SDF SMILES Flexibase

37310082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 5-bromo-2-fluoro-3-[(5-methyl-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)	1.32	2.4	-52.85	0	7	-1	113	378.155	4	↓ MOL2 SDF SMILES Flexibase

37310141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2-bromo-5-(1,2,4-oxadiazol-3-ylm…

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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)	0.57	1.53	-55.96	0	7	-1	113	346.138	4	↓ MOL2 SDF SMILES Flexibase

37310200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(5-methyl-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)	1.19	2.3	-52.93	0	7	-1	113	333.704	4	↓ MOL2 SDF SMILES Flexibase

37310247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 4-methoxy-3-(1,2,4-oxadiazol-3-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)	0.60	0.86	-62.17	0	8	-1	122	297.268	5	↓ MOL2 SDF SMILES Flexibase

37310293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 3,4-dimethyl-5-(1,2,4-oxadiazol-…

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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	2.18	-62.99	0	7	-1	113	295.296	4	↓ MOL2 SDF SMILES Flexibase

37310294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 3,4-dimethyl-5-[(5-methyl-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)	1.59	2.93	-61.97	0	7	-1	113	309.323	4	↓ MOL2 SDF SMILES Flexibase

37310353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2-methyl-5-(1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.21	1.69	-60.14	0	7	-1	113	281.269	4	↓ MOL2 SDF SMILES Flexibase

37310412

Analogs

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Popular Name: 2,6-dichloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(5-methyl-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)	1.71	2.48	-52.84	0	7	-1	113	350.159	4	↓ MOL2 SDF SMILES Flexibase

37310458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2,4-dichloro-5-(1,2,4-oxadiazol-…

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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)	1.48	1.84	-52.6	0	7	-1	113	336.132	4	↓ MOL2 SDF SMILES Flexibase

37310459

Analogs

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Popular Name: 2,4-dichloro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2,4-dichloro-5-[(5-methyl-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)	1.71	2.59	-50.53	0	7	-1	113	350.159	4	↓ MOL2 SDF SMILES Flexibase

37310519

Analogs

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Popular Name: 4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-methyl-3-[(5-methyl-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)	1.21	2.42	-63.18	0	7	-1	113	295.296	4	↓ MOL2 SDF SMILES Flexibase

37310577

Analogs

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Popular Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic 3-[4-(1,2,4-oxadiazol-3-ylmethyl…

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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)	0.20	2.63	-55.67	0	7	-1	113	295.296	6	↓ MOL2 SDF SMILES Flexibase

37310578

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	0.43	3.38	-54.29	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

37310637

Analogs

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Popular Name: 2-fluoro-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2-fluoro-5-(1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.07	1.07	-60.27	0	7	-1	113	285.232	4	↓ MOL2 SDF SMILES Flexibase

37310710

Analogs

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Popular Name: 4-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-fluoro-3-[(5-methyl-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)	0.92	1.82	-53.85	0	7	-1	113	299.259	4	↓ MOL2 SDF SMILES Flexibase

37310767

Analogs

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Popular Name: 2,6-difluoro-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2,6-difluoro-3-(1,2,4-oxadiazol-…

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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	1.07	-59.39	0	7	-1	113	303.222	4	↓ MOL2 SDF SMILES Flexibase

37310768

Analogs

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Popular Name: 2,6-difluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 2,6-difluoro-3-[(5-methyl-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)	0.68	1.82	-60.57	0	7	-1	113	317.249	4	↓ MOL2 SDF SMILES Flexibase

37310827

Analogs

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Popular Name: 4-chloro-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 4-chloro-3-(1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	1.45	-55.11	0	7	-1	113	301.687	4	↓ MOL2 SDF SMILES Flexibase

37310898

Analogs

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Popular Name: 2-chloro-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 2-chloro-5-(1,2,4-oxadiazol-3-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.44	1.44	-56.8	0	7	-1	113	301.687	4	↓ MOL2 SDF SMILES Flexibase

37310969

Analogs

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Popular Name: 4-bromo-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic 4-bromo-3-(1,2,4-oxadiazol-3-ylm…

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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)	1.35	1.57	-54.71	0	7	-1	113	346.138	4	↓ MOL2 SDF SMILES Flexibase

37310970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic 4-bromo-3-[(5-methyl-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)	1.57	2.31	-52.56	0	7	-1	113	360.165	4	↓ MOL2 SDF SMILES Flexibase

49415710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxyphenyl)sulfonylmethyl]-5-methyl-1,2,4-oxadiazole 3-[(2-methoxyphenyl)sulfonylmeth…

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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	1.04	-17.76	0	6	0	82	268.294	4	↓ MOL2 SDF SMILES Flexibase

49415804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-3-[(2-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole 5-ethyl-3-[(2-methoxyphenyl)sulf…

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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	1.8	-16.93	0	6	0	82	282.321	5	↓ MOL2 SDF SMILES Flexibase

49415806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-3-[(2-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole 5-isopropyl-3-[(2-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	2.4	-16.65	0	6	0	82	296.348	5	↓ MOL2 SDF SMILES Flexibase

49415808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methoxyphenyl)sulfonylmethyl]-5-propyl-1,2,4-oxadiazole 3-[(2-methoxyphenyl)sulfonylmeth…

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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)	2.01	2.57	-16.39	0	6	0	82	296.348	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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