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ZINC Item

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52944029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(2-methoxy-5-methyl-phenyl)-1,2,4-oxadiazol-3-yl]cyclohexanamine 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)	3.50	4.85	-40.27	3	5	1	76	288.371	3	↓ MOL2 SDF SMILES Flexibase

19989498

Analogs

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Popular Name: 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-fluoro-aniline 2-(3-cyclohexyl-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)	3.18	4.84	-7.13	2	4	0	65	261.3	2	↓ MOL2 SDF SMILES Flexibase

36329244

Analogs

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Popular Name: 2-chloro-4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-5-methoxy-aniline 2-chloro-4-(3-cyclohexyl-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)	3.68	5.3	-9.27	2	5	0	74	307.781	3	↓ MOL2 SDF SMILES Flexibase

62667104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]cyclohexanamine 1-[5-(5-fluoro-2-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)	3.61	4.49	-39.11	3	4	1	67	276.335	2	↓ MOL2 SDF SMILES Flexibase

62667107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-4-methyl-cyclohexanamine 1-[5-(5-fluoro-2-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)	3.38	4.9	-40.1	3	4	1	67	290.362	2	↓ MOL2 SDF SMILES Flexibase

62667108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-cyclohexanamine (1S,3S)-1-[5-(5-fluoro-2-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)	3.62	5.09	-39.66	3	4	1	67	290.362	2	↓ MOL2 SDF SMILES Flexibase

62667110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-cyclohexanamine (1R,3S)-1-[5-(5-fluoro-2-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)	3.62	5.08	-38.2	3	4	1	67	290.362	2	↓ MOL2 SDF SMILES Flexibase

62667112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-cyclohexanamine (1S,3R)-1-[5-(5-fluoro-2-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)	3.62	5.04	-38.05	3	4	1	67	290.362	2	↓ MOL2 SDF SMILES Flexibase

62667114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-[5-(5-fluoro-2-methyl-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-cyclohexanamine (1R,3R)-1-[5-(5-fluoro-2-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)	3.62	5.11	-39.78	3	4	1	67	290.362	2	↓ MOL2 SDF SMILES Flexibase

62823686

Analogs

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Popular Name: 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-5-nitro-aniline 2-(3-cyclohexyl-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)	2.97	5.21	-6.53	2	7	0	111	288.307	3	↓ MOL2 SDF SMILES Flexibase

62824309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-iodo-aniline 2-(3-cyclohexyl-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)	4.10	5.59	-5.62	2	4	0	65	369.206	2	↓ MOL2 SDF SMILES Flexibase

62824347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-2-[3-[(1S,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 4-iodo-2-[3-[(1S,3R)-3-methylcyc…

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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)	4.10	6.2	-5.6	2	4	0	65	383.233	2	↓ MOL2 SDF SMILES Flexibase

62824348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-2-[3-[(1S,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 4-iodo-2-[3-[(1S,3S)-3-methylcyc…

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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)	4.10	5.96	-5.52	2	4	0	65	383.233	2	↓ MOL2 SDF SMILES Flexibase

62824349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-2-[3-[(1R,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 4-iodo-2-[3-[(1R,3R)-3-methylcyc…

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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)	4.10	5.96	-5.5	2	4	0	65	383.233	2	↓ MOL2 SDF SMILES Flexibase

62824350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-2-[3-[(1R,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 4-iodo-2-[3-[(1R,3S)-3-methylcyc…

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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)	4.10	6.2	-5.59	2	4	0	65	383.233	2	↓ MOL2 SDF SMILES Flexibase

62824351

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.98	-5.54	2	4	0	65	383.233	2	↓ MOL2 SDF SMILES Flexibase

62825238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dibromo-6-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)aniline 2,4-dibromo-6-(3-cyclohexyl-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)	4.56	5.8	-3.54	2	4	0	65	401.102	2	↓ MOL2 SDF SMILES Flexibase

62825887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4,6-dimethyl-aniline 2-(3-cyclohexyl-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)	3.84	5.93	-6.11	2	4	0	65	271.364	2	↓ MOL2 SDF SMILES Flexibase

62825918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[3-[(1R,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2,4-dimethyl-6-[3-[(1R,3S)-3-met…

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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	6.54	-6	2	4	0	65	285.391	2	↓ MOL2 SDF SMILES Flexibase

62825919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[3-[(1S,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2,4-dimethyl-6-[3-[(1S,3S)-3-met…

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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	6.3	-6	2	4	0	65	285.391	2	↓ MOL2 SDF SMILES Flexibase

62825920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[3-[(1R,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2,4-dimethyl-6-[3-[(1R,3R)-3-met…

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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	6.3	-5.96	2	4	0	65	285.391	2	↓ MOL2 SDF SMILES Flexibase

62825921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[3-[(1S,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2,4-dimethyl-6-[3-[(1S,3R)-3-met…

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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	6.54	-6.02	2	4	0	65	285.391	2	↓ MOL2 SDF SMILES Flexibase

62825922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline 2,4-dimethyl-6-[3-(4-methylcyclo…

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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)	3.61	6.54	-5.91	2	4	0	65	285.391	2	↓ MOL2 SDF SMILES Flexibase

62826724

Analogs

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Popular Name: 2-bromo-6-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)aniline 2-bromo-6-(3-cyclohexyl-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)	3.80	5.2	-5.26	2	4	0	65	322.206	2	↓ MOL2 SDF SMILES Flexibase

62826774

Analogs

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Popular Name: 2-bromo-6-[3-[(1S,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-bromo-6-[3-[(1S,3R)-3-methylcy…

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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)	3.81	5.82	-5.17	2	4	0	65	336.233	2	↓ MOL2 SDF SMILES Flexibase

62826775

Analogs

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Popular Name: 2-bromo-6-[3-[(1S,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-bromo-6-[3-[(1S,3S)-3-methylcy…

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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)	3.81	5.58	-5.12	2	4	0	65	336.233	2	↓ MOL2 SDF SMILES Flexibase

62826776

Analogs

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Popular Name: 2-bromo-6-[3-[(1R,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-bromo-6-[3-[(1R,3R)-3-methylcy…

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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)	3.81	5.58	-5.16	2	4	0	65	336.233	2	↓ MOL2 SDF SMILES Flexibase

62826777

Analogs

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Popular Name: 2-bromo-6-[3-[(1R,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-bromo-6-[3-[(1R,3S)-3-methylcy…

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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)	3.81	5.82	-5.18	2	4	0	65	336.233	2	↓ MOL2 SDF SMILES Flexibase

62826779

Analogs

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Popular Name: 2-bromo-6-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline 2-bromo-6-[3-(4-methylcyclohexyl…

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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	5.82	-5.04	2	4	0	65	336.233	2	↓ MOL2 SDF SMILES Flexibase

63008634

Analogs

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Popular Name: 1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexanamine 1-[5-(3,4,5-trifluorophenyl)-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)	3.42	4.19	-43.67	3	4	1	67	298.288	2	↓ MOL2 SDF SMILES Flexibase

63009998

Analogs

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Popular Name: 4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-fluoro-aniline 4-(3-cyclohexyl-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)	3.18	4.62	-7.16	2	4	0	65	261.3	2	↓ MOL2 SDF SMILES Flexibase

63010036

Analogs

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Popular Name: 2-fluoro-4-[3-[(1S,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-fluoro-4-[3-[(1S,3R)-3-methylc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	5.24	-7.22	2	4	0	65	275.327	2	↓ MOL2 SDF SMILES Flexibase

63010037

Analogs

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Popular Name: 2-fluoro-4-[3-[(1S,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-fluoro-4-[3-[(1S,3S)-3-methylc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	5	-7.11	2	4	0	65	275.327	2	↓ MOL2 SDF SMILES Flexibase

63010038

Analogs

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Popular Name: 2-fluoro-4-[3-[(1R,3R)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-fluoro-4-[3-[(1R,3R)-3-methylc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	5	-7.13	2	4	0	65	275.327	2	↓ MOL2 SDF SMILES Flexibase

63010039

Analogs

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Popular Name: 2-fluoro-4-[3-[(1R,3S)-3-methylcyclohexyl]-1,2,4-oxadiazol-5-yl]aniline 2-fluoro-4-[3-[(1R,3S)-3-methylc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	5.24	-7.22	2	4	0	65	275.327	2	↓ MOL2 SDF SMILES Flexibase

63010040

Analogs

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Popular Name: 2-fluoro-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline 2-fluoro-4-[3-(4-methylcyclohexy…

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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	5.24	-7.15	2	4	0	65	275.327	2	↓ MOL2 SDF SMILES Flexibase

41671073

Analogs

444768

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Popular Name: (1R,3R)-3-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclohexanamine (1R,3R)-3-methyl-1-(5-phenyl-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)	3.08	4.64	-39.72	3	4	1	67	258.345	2	↓ MOL2 SDF SMILES Flexibase

41671076

Analogs

444768

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Popular Name: (1R,3S)-3-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclohexanamine (1R,3S)-3-methyl-1-(5-phenyl-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)	3.08	4.62	-38.01	3	4	1	67	258.345	2	↓ MOL2 SDF SMILES Flexibase

41671079

Analogs

444768

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclohexanamine (1S,3R)-3-methyl-1-(5-phenyl-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)	3.08	4.56	-37.96	3	4	1	67	258.345	2	↓ MOL2 SDF SMILES Flexibase

41671082

Analogs

444768

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclohexanamine (1S,3S)-3-methyl-1-(5-phenyl-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)	3.08	4.61	-39.67	3	4	1	67	258.345	2	↓ MOL2 SDF SMILES Flexibase

37335057

Analogs

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Popular Name: 2,4-dichloro-6-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)aniline 2,4-dichloro-6-(3-cyclohexyl-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)	4.30	5.58	-3.7	2	4	0	65	312.2	2	↓ MOL2 SDF SMILES Flexibase

37716913

Analogs

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Popular Name: [3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine [3-(3-cyclohexyl-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)	2.76	4.68	-52.13	3	4	1	67	258.345	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 37641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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