ZINC 12

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ZINC Item

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53608443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-isopropyl-1,2,4-oxadiazole 3-[(6,8-difluoro-3,4-dihydro-2H-…

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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)	3.32	7.01	-9.19	0	4	0	42	293.317	3	↓ MOL2 SDF SMILES Flexibase

52558450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamid (2R,4S)-1-[(5-tert-butyl-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)	2.36	4.86	-14.54	2	6	0	85	328.416	4	↓ MOL2 SDF SMILES Flexibase

52558452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamid (2S,4S)-1-[(5-tert-butyl-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)	2.36	4.5	-14.74	2	6	0	85	328.416	4	↓ MOL2 SDF SMILES Flexibase

52558454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamid (2R,4R)-1-[(5-tert-butyl-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)	2.36	4.53	-12.36	2	6	0	85	328.416	4	↓ MOL2 SDF SMILES Flexibase

52558455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamid (2S,4R)-1-[(5-tert-butyl-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)	2.36	4.54	-12.15	2	6	0	85	328.416	4	↓ MOL2 SDF SMILES Flexibase

65566516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4R)-1-[(5-butyl-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)	2.27	5.1	-11.58	2	6	0	85	328.416	6	↓ MOL2 SDF SMILES Flexibase

65566518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4S)-1-[(5-butyl-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)	2.27	4.91	-13.85	2	6	0	85	328.416	6	↓ MOL2 SDF SMILES Flexibase

65588464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole 3-[(8-fluoro-3,4-dihydro-2H-quin…

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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)	3.22	7.11	-9.28	0	4	0	42	275.327	4	↓ MOL2 SDF SMILES Flexibase

65588686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole 3-[(6,8-difluoro-3,4-dihydro-2H-…

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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	7.18	-9.05	0	4	0	42	293.317	4	↓ MOL2 SDF SMILES Flexibase

70194766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(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)	1.08	3.34	-9.43	2	5	0	68	244.298	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.08	3.44	-29.4	3	5	1	69	245.306	2	↓ MOL2 SDF SMILES Flexibase

70194838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(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)	2.14	4.7	-8.48	2	5	0	68	272.352	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.14	4.81	-28.54	3	5	1	69	273.36	3	↓ MOL2 SDF SMILES Flexibase

70194875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-isobutyl-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)	2.40	5.61	-8.13	2	5	0	68	286.379	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.40	5.5	-28.79	3	5	1	69	287.387	4	↓ MOL2 SDF SMILES Flexibase

70194976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine 1-(1,2,4-oxadiazol-3-ylmethyl)-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)	0.86	2.85	-8.91	2	5	0	68	230.271	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.86	2.7	-30.72	3	5	1	69	231.279	2	↓ MOL2 SDF SMILES Flexibase

70195020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(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)	2.16	4.86	-8.26	2	5	0	68	272.352	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.16	4.97	-28.87	3	5	1	69	273.36	4	↓ MOL2 SDF SMILES Flexibase

70195064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(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)	1.65	4.09	-8.76	2	5	0	68	258.325	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.65	4.2	-28.97	3	5	1	69	259.333	3	↓ MOL2 SDF SMILES Flexibase

70195100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-tert-butyl-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)	2.81	5.22	-8.37	2	5	0	68	286.379	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.81	5.33	-28.28	3	5	1	69	287.387	3	↓ MOL2 SDF SMILES Flexibase

70196143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-methyl-1,2,4-oxadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	2.66	-53.12	3	5	1	70	245.306	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	2.34	-8.71	2	5	0	68	244.298	2	↓ MOL2 SDF SMILES Flexibase

70196144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-methyl-1,2,4-oxadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	2.7	-55.74	3	5	1	70	245.306	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	2.38	-8.79	2	5	0	68	244.298	2	↓ MOL2 SDF SMILES Flexibase

70196313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-isopropyl-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)	1.43	4.02	-52.23	3	5	1	70	273.36	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.7	-7.85	2	5	0	68	272.352	3	↓ MOL2 SDF SMILES Flexibase

70196314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-isopropyl-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)	1.43	4.06	-54.87	3	5	1	70	273.36	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.74	-7.82	2	5	0	68	272.352	3	↓ MOL2 SDF SMILES Flexibase

70196365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-isobutyl-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)	1.69	4.71	-52.47	3	5	1	70	287.387	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.69	4.62	-7.39	2	5	0	68	286.379	4	↓ MOL2 SDF SMILES Flexibase

70196366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-isobutyl-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)	1.69	4.76	-54.88	3	5	1	70	287.387	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.69	4.65	-7.44	2	5	0	68	286.379	4	↓ MOL2 SDF SMILES Flexibase

70196543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (3S)-1-(1,2,4-oxadiazol-3-ylmeth…

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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	2.2	-52.63	3	5	1	70	231.279	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.15	1.88	-8.62	2	5	0	68	230.271	2	↓ MOL2 SDF SMILES Flexibase

70196544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (3R)-1-(1,2,4-oxadiazol-3-ylmeth…

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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	1.92	-49.78	3	5	1	70	231.279	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.15	1.6	-8.68	2	5	0	68	230.271	2	↓ MOL2 SDF SMILES Flexibase

70196629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-propyl-1,2,4-oxadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	4.18	-52.36	3	5	1	70	273.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.45	3.87	-7.56	2	5	0	68	272.352	4	↓ MOL2 SDF SMILES Flexibase

70196630

Analogs

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Popular Name: (3S)-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-propyl-1,2,4-oxadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	4.23	-54.94	3	5	1	70	273.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.45	3.9	-7.62	2	5	0	68	272.352	4	↓ MOL2 SDF SMILES Flexibase

70196713

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-ethyl-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)	0.95	3.41	-52.63	3	5	1	70	259.333	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.95	3.1	-8.09	2	5	0	68	258.325	3	↓ MOL2 SDF SMILES Flexibase

70196714

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-ethyl-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)	0.95	3.46	-55.25	3	5	1	70	259.333	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.95	3.13	-8.05	2	5	0	68	258.325	3	↓ MOL2 SDF SMILES Flexibase

70196763

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-tert-butyl-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)	2.10	4.54	-52.36	3	5	1	70	287.387	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.10	4.22	-7.68	2	5	0	68	286.379	3	↓ MOL2 SDF SMILES Flexibase

70196764

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-tert-butyl-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)	2.10	4.58	-54.91	3	5	1	70	287.387	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.10	4.26	-7.72	2	5	0	68	286.379	3	↓ MOL2 SDF SMILES Flexibase

49335536

Analogs

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Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic 1-[(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)	2.13	6.63	-54.53	0	6	-1	82	286.311	4	↓ MOL2 SDF SMILES Flexibase

49335608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine 1-[(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)	2.04	4.2	-9.15	2	5	0	68	258.325	3	↓ MOL2 SDF SMILES Flexibase

49336764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine 1-[(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)	2.52	4.81	-8.82	2	5	0	68	272.352	3	↓ MOL2 SDF SMILES Flexibase

49339941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine 1-[(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)	2.54	4.97	-8.62	2	5	0	68	272.352	4	↓ 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

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