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ZINC Item

Suppliers, Protomers, & Similar Substances

12401082

Analogs

3664274

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(4-tert-butylphenyl)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]oxazol-5-one (4Z)-2-(4-tert-butylphenyl)-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)	6.89	3.46	-10.11	0	5	0	62	475.972	7	↓ MOL2 SDF SMILES Flexibase

2081649

Analogs

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Popular Name: 2-(2-chloro-4,5-difluorophenyl)-4-{4-[(2-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-chloro-4,5-difluorophenyl)-…

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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)	6.23	3.25	-9.09	1	0	0	52	439.845	4	↓ MOL2 SDF SMILES Flexibase

2081650

Analogs

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Popular Name: (4Z)-2-(2-chloro-4,5-difluoro-phenyl)-4-[4-(2-methylbenzyl)oxybenzylidene]-2-oxazolin-5-one (4Z)-2-(2-chloro-4,5-difluoro-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)	6.23	13.63	-9.99	0	4	0	52	439.845	5	↓ MOL2 SDF SMILES Flexibase

2081759

Analogs

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Popular Name: 2-(2-chloro-4,5-difluorophenyl)-4-{3-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-chloro-4,5-difluorophenyl)-…

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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)	6.19	3.57	-12.72	1	0	0	61	483.898	5	↓ MOL2 SDF SMILES Flexibase

2081793

Analogs

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Popular Name: 4-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-[4-(benzyloxy)-3-bromo-5-metho…

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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)	6.35	2.62	-11.3	2	0	0	61	534.74	5	↓ MOL2 SDF SMILES Flexibase

2081795

Analogs

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Popular Name: 4-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one 4-[4-(benzyloxy)-3-iodo-5-methox…

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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)	6.10	1.23	-15.81	2	0	0	107	570.339	8	↓ MOL2 SDF SMILES Flexibase

2081818

Analogs

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Popular Name: 4-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one 4-[4-(benzyloxy)-3-bromo-5-metho…

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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)	5.65	1.3	-9.83	1	0	0	61	482.305	5	↓ MOL2 SDF SMILES Flexibase

2082289

Analogs

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Popular Name: 4-{4-[(2-methylbenzyl)oxy]benzylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one 4-{4-[(2-methylbenzyl)oxy]benzyl…

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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)	5.81	1.53	-11.57	0	4	0	52	383.447	5	↓ MOL2 SDF SMILES Flexibase

2082312

Analogs

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Popular Name: 4-{3-ethoxy-5-iodo-4-[(2-methylbenzyl)oxy]benzylidene}-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one 4-{3-ethoxy-5-iodo-4-[(2-methylb…

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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)	6.96	1.19	-10.32	0	5	0	61	553.396	7	↓ MOL2 SDF SMILES Flexibase

2082326

Analogs

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Popular Name: 2-(2,5-dichlorophenyl)-4-{3-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2,5-dichlorophenyl)-4-{3-etho…

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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)	6.61	1.95	-13.58	0	5	0	61	482.363	7	↓ MOL2 SDF SMILES Flexibase

2083890

Analogs

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Popular Name: 4-{4-[(2-bromobenzyl)oxy]-3-chloro-5-methoxybenzylidene}-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-{4-[(2-bromobenzyl)oxy]-3-chlo…

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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)	6.98	3.52	-10.38	0	5	0	61	569.185	6	↓ MOL2 SDF SMILES Flexibase

2083946

Analogs

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Popular Name: (4E)-4-[3-chloro-5-ethoxy-4-(2-methylbenzyl)oxy-benzylidene]-2-phenyl-2-oxazolin-5-one (4E)-4-[3-chloro-5-ethoxy-4-(2-m…

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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)	6.13	12.98	-12.18	0	5	0	62	447.918	7	↓ MOL2 SDF SMILES Flexibase

2083947

Analogs

2773013

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3-chloro-5-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one 4-{3-chloro-5-ethoxy-4-[(2-methy…

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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)	6.13	2.74	-10.93	0	5	0	61	447.918	7	↓ MOL2 SDF SMILES Flexibase

2083989

Analogs

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Popular Name: 4-{3-bromo-5-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-5-ethoxy-4-[(3-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)	6.45	1.65	-11.5	0	5	0	61	510.359	7	↓ MOL2 SDF SMILES Flexibase

2084027

Analogs

5703301

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{4-[(2-bromobenzyl)oxy]-3-ethoxybenzylidene}-2-(2-bromophenyl)-1,3-oxazol-5(4H)-one 4-{4-[(2-bromobenzyl)oxy]-3-etho…

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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)	6.45	1.65	-11.57	0	5	0	61	557.238	7	↓ MOL2 SDF SMILES Flexibase

2084038

Analogs

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Popular Name: 4-{4-[(3-chlorobenzyl)oxy]-3-ethoxybenzylidene}-2-(3-chlorophenyl)-1,3-oxazol-5(4H)-one 4-{4-[(3-chlorobenzyl)oxy]-3-eth…

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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)	6.24	2.11	-12.45	0	5	0	61	468.336	7	↓ MOL2 SDF SMILES Flexibase

2084092

Analogs

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Popular Name: 4-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-4-[(4-fluorobenzyl)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)	6.46	1.77	-10.06	0	5	0	61	561.201	6	↓ MOL2 SDF SMILES Flexibase

2084116

Analogs

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Popular Name: (4Z)-4-[3-bromo-5-ethoxy-4-(3-fluorobenzyl)oxy-benzylidene]-2-(2-fluorophenyl)-2-oxazolin-5-one (4Z)-4-[3-bromo-5-ethoxy-4-(3-fl…

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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)	6.12	14.02	-12.91	0	5	0	62	514.322	7	↓ MOL2 SDF SMILES Flexibase

2084248

Analogs

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Popular Name: 2-(2,5-dichlorophenyl)-4-{4-[(3-fluorobenzyl)oxy]-3,5-dimethoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(2,5-dichlorophenyl)-4-{4-[(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)	5.96	3.45	-12.61	0	6	0	70	502.325	7	↓ MOL2 SDF SMILES Flexibase

2084250

Analogs

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Popular Name: 4-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-5-ethoxy-4-[(4-fluoro…

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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)	6.17	3.28	-11.13	0	5	0	61	514.322	7	↓ MOL2 SDF SMILES Flexibase

2084257

Analogs

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Popular Name: 4-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-chloro-5-ethoxy-4-[(4-fluor…

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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)	6.01	4.02	-12.57	0	5	0	61	469.871	7	↓ MOL2 SDF SMILES Flexibase

2084259

Analogs

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Popular Name: (4Z)-4-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]-2-(4-fluorophenyl)-2-oxazolin-5-one (4Z)-4-[4-(4-chlorobenzyl)oxy-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)	5.77	13.51	-11.24	0	5	0	62	451.881	7	↓ MOL2 SDF SMILES Flexibase

2084271

Analogs

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Popular Name: 4-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-chloro-5-ethoxy-4-[(3-methy…

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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)	6.27	2.47	-14.05	0	5	0	61	465.908	7	↓ MOL2 SDF SMILES Flexibase

2084278

Analogs

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Popular Name: 2-(3-bromophenyl)-4-{4-[(3-fluorobenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(3-bromophenyl)-4-{4-[(3-fluor…

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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)	5.89	2.04	-11.18	0	4	0	52	452.279	5	↓ MOL2 SDF SMILES Flexibase

2084280

Analogs

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Popular Name: 4-{3-bromo-4-[(2-bromobenzyl)oxy]-5-methoxybenzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-4-[(2-bromobenzyl)oxy…

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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)	6.41	1.85	-10.05	0	5	0	61	561.201	6	↓ MOL2 SDF SMILES Flexibase

2084297

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-4-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(4-tert-butylphenyl)-4-{3-etho…

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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)	6.80	4.29	-11.49	0	5	0	61	473.544	8	↓ MOL2 SDF SMILES Flexibase

2084330

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-4-{3-iodo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(4-tert-butylphenyl)-4-{3-iodo…

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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)	7.92	3.21	-10	0	5	0	61	581.45	7	↓ MOL2 SDF SMILES Flexibase

2084338

Analogs

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Popular Name: 2-(2-bromophenyl)-4-{3-chloro-5-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-bromophenyl)-4-{3-chloro-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)	6.94	2.7	-12.18	0	5	0	61	526.814	7	↓ MOL2 SDF SMILES Flexibase

2084686

Analogs

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Popular Name: 4-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-5-ethoxy-4-[(4-fluoro…

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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)	6.89	4.41	-10.19	0	5	0	61	566.757	7	↓ MOL2 SDF SMILES Flexibase

2084688

Analogs

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Popular Name: 4-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one 4-{3-chloro-4-[(4-chlorobenzyl)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)	7.12	1.4	-9.5	0	5	0	61	580.205	6	↓ MOL2 SDF SMILES Flexibase

2084707

Analogs

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Popular Name: (4E)-4-[3-methoxy-4-(4-methylbenzyl)oxy-benzylidene]-2-phenyl-2-oxazolin-5-one (4E)-4-[3-methoxy-4-(4-methylben…

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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)	5.00	11.43	-12.17	0	5	0	62	399.446	6	↓ MOL2 SDF SMILES Flexibase

2084708

Analogs

4471181
5698682
647198

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Popular Name: 4-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one 4-{3-methoxy-4-[(4-methylbenzyl)…

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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)	5.00	2.71	-11.94	0	5	0	61	399.446	6	↓ MOL2 SDF SMILES Flexibase

2084719

Analogs

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Popular Name: 4-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-5-ethoxy-4-[(2-fluoro…

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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)	6.84	4.49	-10.52	0	5	0	61	566.757	7	↓ MOL2 SDF SMILES Flexibase

2084749

Analogs

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Popular Name: 2-(2-chloro-5-iodophenyl)-4-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-chloro-5-iodophenyl)-4-{3-c…

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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)	7.50	2.22	-11.1	0	5	0	61	594.232	6	↓ MOL2 SDF SMILES Flexibase

2084771

Analogs

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Popular Name: 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(3-bromophenyl)-1,3-oxazol-5(4H)-one 4-{3-bromo-5-methoxy-4-[(2-methy…

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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)	6.67	0.16	-13.31	0	5	0	61	557.238	6	↓ MOL2 SDF SMILES Flexibase

2084783

Analogs

8990022
8990023

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Popular Name: 4-[3-ethoxy-4-({3-nitrobenzyl}oxy)benzylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one 4-[3-ethoxy-4-({3-nitrobenzyl}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)	5.31	3.24	-16.58	0	8	0	107	458.47	8	↓ MOL2 SDF SMILES Flexibase

2084786

Analogs

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Popular Name: 4-{3-chloro-4-[(3-chlorobenzyl)oxy]-5-ethoxybenzylidene}-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one 4-{3-chloro-4-[(3-chlorobenzyl)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)	6.35	2.77	-13.04	0	8	0	107	513.333	8	↓ MOL2 SDF SMILES Flexibase

2084794

Analogs

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Popular Name: 4-{3-ethoxy-4-[(3-fluorobenzyl)oxy]-5-iodobenzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-ethoxy-4-[(3-fluorobenzyl)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)	6.42	3.22	-11.83	0	5	0	61	561.322	7	↓ MOL2 SDF SMILES Flexibase

2084798

Analogs

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Popular Name: 4-[3-bromo-5-ethoxy-4-({4-nitrobenzyl}oxy)benzylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one 4-[3-bromo-5-ethoxy-4-({4-nitrob…

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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)	6.25	2.65	-13.19	0	8	0	107	537.366	8	↓ MOL2 SDF SMILES Flexibase

2084804

Analogs

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Popular Name: 2-(2-chloro-5-iodophenyl)-4-{4-[(3-fluorobenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-chloro-5-iodophenyl)-4-{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)	6.79	2.3	-11.54	0	4	0	52	533.724	5	↓ MOL2 SDF SMILES Flexibase

2084811

Analogs

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Popular Name: 4-{4-[(3-chlorobenzyl)oxy]-3-ethoxybenzylidene}-2-{3-nitrophenyl}-1,3-oxazol-5(4H)-one 4-{4-[(3-chlorobenzyl)oxy]-3-eth…

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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)	5.52	2.77	-17.89	0	8	0	107	478.888	8	↓ MOL2 SDF SMILES Flexibase

2084816

Analogs

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Popular Name: 4-{3,5-dibromo-4-[(3-chlorobenzyl)oxy]benzylidene}-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3,5-dibromo-4-[(3-chlorobenzy…

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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)	7.23	1.39	-9.08	0	4	0	52	565.62	5	↓ MOL2 SDF SMILES Flexibase

2084823

Analogs

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Popular Name: 2-(2,5-dichlorophenyl)-4-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(2,5-dichlorophenyl)-4-{4-[(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)	5.98	3.32	-12.41	0	5	0	61	472.299	6	↓ MOL2 SDF SMILES Flexibase

2084825

Analogs

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Popular Name: 2-(2-bromophenyl)-4-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-bromophenyl)-4-{3-chloro-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)	6.57	2.69	-12.48	0	5	0	61	512.787	6	↓ MOL2 SDF SMILES Flexibase

2084826

Analogs

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Popular Name: 2-(4-bromophenyl)-4-{4-[(3-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(4-bromophenyl)-4-{4-[(3-methy…

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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)	6.20	0.4	-9.22	0	4	0	52	448.316	5	↓ MOL2 SDF SMILES Flexibase

2084827

Analogs

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Popular Name: (4Z)-2-(4-bromophenyl)-4-[4-(3-methylbenzyl)oxybenzylidene]-2-oxazolin-5-one (4Z)-2-(4-bromophenyl)-4-[4-(3-m…

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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)	6.20	1.62	-9.42	0	4	0	52	448.316	5	↓ MOL2 SDF SMILES Flexibase

2084829

Analogs

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Popular Name: 2-(2-chlorophenyl)-4-[4-({2-nitrobenzyl}oxy)-3-methoxybenzylidene]-1,3-oxazol-5(4H)-one 2-(2-chlorophenyl)-4-[4-({2-nitr…

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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)	5.09	3.21	-15.52	0	8	0	107	464.861	7	↓ MOL2 SDF SMILES Flexibase

2084831

Analogs

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Popular Name: 4-{4-[(2-bromobenzyl)oxy]-3-methoxybenzylidene}-2-(2-chlorophenyl)-1,3-oxazol-5(4H)-one 4-{4-[(2-bromobenzyl)oxy]-3-meth…

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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)	5.95	2.05	-11.96	0	5	0	61	498.76	6	↓ MOL2 SDF SMILES Flexibase

2084833

Analogs

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Popular Name: 4-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-{3-nitro-4-methylphenyl}-1,3-oxazol-5(4H)-one 4-{3-bromo-5-methoxy-4-[(4-methy…

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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)	6.27	2.83	-14.78	0	8	0	107	537.366	7	↓ MOL2 SDF SMILES Flexibase

2084835

Analogs

3663410
8425566
8990017

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Popular Name: 2-(4-tert-butylphenyl)-4-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(4-tert-butylphenyl)-4-{3-etho…

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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)	7.08	3.87	-10.89	0	5	0	61	469.581	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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