ZINC 12

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)	1.33	1.79	-46.38	3	5	1	76	220.252	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.33	1.4	-9.93	2	5	0	74	219.244	3	↓ MOL2 SDF SMILES Flexibase

52944012

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-(2-methoxy-5-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)	0.01	2.33	-43.29	3	5	1	76	234.279	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.01	1.96	-10.27	2	5	0	74	233.271	3	↓ MOL2 SDF SMILES Flexibase

52944013

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-(2-methoxy-5-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)	0.01	2.33	-43.28	3	5	1	76	234.279	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.01	2.02	-9.85	2	5	0	74	233.271	3	↓ MOL2 SDF SMILES Flexibase

52944014

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-(2-methoxy-5-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)	0.52	3.14	-41.81	3	5	1	76	248.306	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	2.83	-9.72	2	5	0	74	247.298	4	↓ MOL2 SDF SMILES Flexibase

52944015

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-(2-methoxy-5-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)	0.52	3.14	-41.8	3	5	1	76	248.306	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	2.85	-8.23	2	5	0	74	247.298	4	↓ MOL2 SDF SMILES Flexibase

52944016

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-(2-methoxy-5-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)	1.08	3.91	-42.86	3	5	1	76	262.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.08	3.59	-9.6	2	5	0	74	261.325	5	↓ MOL2 SDF SMILES Flexibase

52944017

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-(2-methoxy-5-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)	1.08	3.91	-42.87	3	5	1	76	262.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.08	3.63	-8.14	2	5	0	74	261.325	5	↓ MOL2 SDF SMILES Flexibase

52944018

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-propan-1-amine (1R)-1-[5-(2-methoxy-5-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)	0.76	3.86	-41.81	3	5	1	76	262.333	4	↓ MOL2 SDF SMILES Flexibase

52944019

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-propan-1-amine (1S)-1-[5-(2-methoxy-5-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)	0.76	3.39	-42.32	3	5	1	76	262.333	4	↓ MOL2 SDF SMILES Flexibase

52944020

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethyl-propan-1-amine (1R)-1-[5-(2-methoxy-5-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)	1.34	4	-42.26	3	5	1	76	276.36	4	↓ MOL2 SDF SMILES Flexibase

52944021

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethyl-propan-1-amine (1S)-1-[5-(2-methoxy-5-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)	1.34	4	-42.26	3	5	1	76	276.36	4	↓ MOL2 SDF SMILES Flexibase

52944024

Analogs

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Popular Name: 2-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(2-methoxy-5-methyl-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)	2.34	2.84	-42.62	3	5	1	76	248.306	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	2.59	-9.87	2	5	0	74	247.298	3	↓ MOL2 SDF SMILES Flexibase

52944025

Analogs

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Popular Name: 3-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(2-methoxy-5-methyl-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)	3.34	4.43	-42.29	3	5	1	76	276.36	5	↓ MOL2 SDF SMILES Flexibase

52944026

Analogs

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Popular Name: (2S)-2-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-(2-methoxy-5-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)	2.84	3.67	-41.75	3	5	1	76	262.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	3.43	-8.35	2	5	0	74	261.325	4	↓ MOL2 SDF SMILES Flexibase

52944027

Analogs

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Popular Name: (2R)-2-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-(2-methoxy-5-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)	2.84	3.55	-41.32	3	5	1	76	262.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	3.28	-9.93	2	5	0	74	261.325	4	↓ MOL2 SDF SMILES Flexibase

52944030

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	2.5	-49.91	3	5	1	76	234.279	4	↓ MOL2 SDF SMILES Flexibase

52944031

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	3.66	-40.73	2	5	1	65	234.279	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	2.23	-9.55	1	5	0	60	233.271	4	↓ MOL2 SDF SMILES Flexibase

52944032

Analogs

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Popular Name: 2-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-N-methyl-ethanamine 2-[5-(2-methoxy-5-methyl-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)	2.11	4.38	-44.89	2	5	1	65	248.306	5	↓ MOL2 SDF SMILES Flexibase

52944033

Analogs

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Popular Name: N-[[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(2-methoxy-5-methyl-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)	2.08	4.53	-39.59	2	5	1	65	248.306	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	3.17	-9.34	1	5	0	60	247.298	5	↓ MOL2 SDF SMILES Flexibase

52944034

Analogs

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Popular Name: N-[[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(2-methoxy-5-methyl-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)	2.38	5.05	-37.48	2	5	1	65	262.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.38	3.86	-9.14	1	5	0	60	261.325	5	↓ MOL2 SDF SMILES Flexibase

19988372

Analogs

21805855

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Popular Name: 4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline 4-[3-(propan-2-yl)-1,2,4-oxadiaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	2.75	-8.34	2	4	0	65	203.245	2	↓ MOL2 SDF SMILES Flexibase

19994739

Analogs

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Popular Name: 4-fluoro-2-(3-isobutyl-1,2,4-oxadiazol-5-yl)aniline 4-fluoro-2-(3-isobutyl-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)	2.59	3.86	-7.13	2	4	0	65	235.262	3	↓ MOL2 SDF SMILES Flexibase

19996717

Analogs

21787529

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Popular Name: 5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline 5-chloro-2-(3-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)	1.79	2.34	-5.63	2	4	0	65	209.636	1	↓ MOL2 SDF SMILES Flexibase

20004622

Analogs

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Popular Name: 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-aniline 2-(3-ethyl-1,2,4-oxadiazol-5-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)	2.08	3.41	-5.95	1	4	0	51	203.245	3	↓ MOL2 SDF SMILES Flexibase

71790453

Analogs

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Popular Name: 5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid 5-[2-(trifluoromethyl)phenyl]-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)	2.13	4.4	-51.67	0	5	-1	79	257.147	3	↓ MOL2 SDF SMILES Flexibase

20897911

Analogs

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Popular Name: N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-methyl-4-(3-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)	1.44	3.31	-8.7	1	7	0	97	234.215	3	↓ MOL2 SDF SMILES Flexibase

20897914

Analogs

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Popular Name: N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-ethyl-4-(3-methyl-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)	1.82	4.36	-8.36	1	7	0	97	248.242	4	↓ MOL2 SDF SMILES Flexibase

20897917

Analogs

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Popular Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitro-N-propylaniline 4-(3-methyl-1,2,4-oxadiazol-5-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)	2.32	4.87	-7.98	1	7	0	97	262.269	5	↓ MOL2 SDF SMILES Flexibase

20897919

Analogs

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Popular Name: N-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-butyl-4-(3-methyl-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)	2.88	5.65	-8	1	7	0	97	276.296	6	↓ MOL2 SDF SMILES Flexibase

20897921

Analogs

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Popular Name: N-isopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-isopropyl-4-(3-methyl-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)	2.78	4.83	-8.02	1	7	0	97	262.269	4	↓ MOL2 SDF SMILES Flexibase

20897927

Analogs

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Popular Name: N,N-dimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N,N-dimethyl-4-(3-methyl-1,2,4-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)	1.69	5.13	-9.52	0	7	0	88	248.242	3	↓ MOL2 SDF SMILES Flexibase

20897931

Analogs

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Popular Name: N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N,N-diethyl-4-(3-methyl-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)	2.44	6.69	-9.53	0	7	0	88	276.296	5	↓ MOL2 SDF SMILES Flexibase

20897934

Analogs

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Popular Name: N-(2-methoxyethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-(2-methoxyethyl)-4-(3-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)	1.43	3.19	-9.88	1	8	0	106	278.268	6	↓ MOL2 SDF SMILES Flexibase

20897943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-allyl-4-(3-methyl-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)	2.09	4.9	-8.3	1	7	0	97	260.253	5	↓ MOL2 SDF SMILES Flexibase

20897969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-2-nitroaniline 4-(3-ethyl-1,2,4-oxadiazol-5-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)	2.02	3.91	-8.42	1	7	0	97	248.242	4	↓ MOL2 SDF SMILES Flexibase

20897970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-ethyl-4-(3-ethyl-1,2,4-oxadiaz…

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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)	2.39	4.96	-8.14	1	7	0	97	262.269	5	↓ MOL2 SDF SMILES Flexibase

20897972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-nitro-N-propylaniline 4-(3-ethyl-1,2,4-oxadiazol-5-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)	2.89	5.71	-7.84	1	7	0	97	276.296	6	↓ MOL2 SDF SMILES Flexibase

20897974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-nitroaniline N-butyl-4-(3-ethyl-1,2,4-oxadiaz…

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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)	3.45	6.49	-7.9	1	7	0	97	290.323	7	↓ MOL2 SDF SMILES Flexibase

20897976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-isopropyl-2-nitroaniline 4-(3-ethyl-1,2,4-oxadiazol-5-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)	3.36	5.67	-7.83	1	7	0	97	276.296	5	↓ MOL2 SDF SMILES Flexibase

20897980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethyl-2-nitroaniline 4-(3-ethyl-1,2,4-oxadiazol-5-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)	2.26	5.73	-9.35	0	7	0	88	262.269	4	↓ MOL2 SDF SMILES Flexibase

20897981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)-2-nitroaniline 4-(3-ethyl-1,2,4-oxadiazol-5-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)	2.00	4.01	-9.99	1	8	0	106	292.295	7	↓ MOL2 SDF SMILES Flexibase

20897989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-nitro-aniline N-allyl-4-(3-ethyl-1,2,4-oxadiaz…

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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	5.51	-8.05	1	7	0	97	274.28	6	↓ MOL2 SDF SMILES Flexibase

20898009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-nitro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline N-ethyl-2-nitro-4-(3-propyl-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)	2.89	5.73	-7.83	1	7	0	97	276.296	6	↓ MOL2 SDF SMILES Flexibase

20898011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-nitro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline N-isopropyl-2-nitro-4-(3-propyl-…

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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)	3.86	6.44	-7.59	1	7	0	97	290.323	6	↓ MOL2 SDF SMILES Flexibase

20898019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-nitro-4-(3-propyl-1,2,4-oxadiazol-5-yl)aniline N-allyl-2-nitro-4-(3-propyl-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)	3.16	6.27	-7.81	1	7	0	97	288.307	7	↓ MOL2 SDF SMILES Flexibase

20898124

Analogs

22120212

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-2-nitro-aniline 4-(3-isopropyl-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)	2.50	4.37	-8.36	1	7	0	97	262.269	4	↓ MOL2 SDF SMILES Flexibase

20898126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2-nitro-aniline N-ethyl-4-(3-isopropyl-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)	2.88	5.42	-8.03	1	7	0	97	276.296	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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