ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

8980406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.56	1.87	-12.43	0	6	0	82	331.349	4	↓ MOL2 SDF SMILES Flexibase

3236561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic-acid-[3-[(Z)-[5-keto-2-(4-phenoxyphenyl)-2-oxazolin-4-ylidene]methyl]phenyl]-ester acetic-acid-[3-[(Z)-[5-keto-2-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	4.08	-12.34	0	6	0	78	399.402	6	↓ MOL2 SDF SMILES Flexibase

3236560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetic-acid-[3-[(E)-[5-keto-2-(4-phenoxyphenyl)-2-oxazolin-4-ylidene]methyl]phenyl]-ester acetic-acid-[3-[(E)-[5-keto-2-(4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	2.88	-14.74	0	6	0	78	399.402	6	↓ MOL2 SDF SMILES Flexibase

34561132

Analogs

5508818

Draw Identity 99% 90% 80% 70%

Popular Name: 5(4H)-Oxazolone, 4-[(dimethylamino)methylene]-2-methyl- (9CI) 5(4H)-Oxazolone, 4-[(dimethylami…

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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)	0.04	2.76	-12.87	0	4	0	46	154.169	1	↓ MOL2 SDF SMILES Flexibase

48629064

Analogs

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Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(thiadiazol-4-ylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	4.65	-17.44	0	6	0	82	275.289	2	↓ MOL2 SDF SMILES Flexibase

48629070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(5-bromo-3-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4Z)-4-[(5-bromo-3-thienyl)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)	3.22	8.25	-8.34	0	4	0	56	352.209	2	↓ MOL2 SDF SMILES Flexibase

48629071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[(5-bromo-3-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4E)-4-[(5-bromo-3-thienyl)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)	3.22	7.37	-7.47	0	4	0	56	352.209	2	↓ MOL2 SDF SMILES Flexibase

48629073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-(3-thienylmethylene)oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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)	2.29	7.51	-9.65	0	4	0	56	273.313	2	↓ MOL2 SDF SMILES Flexibase

48629075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(3-thienylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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)	2.29	6.63	-9.16	0	4	0	56	273.313	2	↓ MOL2 SDF SMILES Flexibase

48629077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-thienyl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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)	2.82	8.29	-9.96	0	4	0	56	287.34	2	↓ MOL2 SDF SMILES Flexibase

48629079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-thienyl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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)	2.82	7.57	-9.5	0	4	0	56	287.34	2	↓ MOL2 SDF SMILES Flexibase

48629082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(1-methylpyrazol-4-yl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	6.31	-14.67	0	6	0	74	271.276	2	↓ MOL2 SDF SMILES Flexibase

48629084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(1-methylpyrazol-4-yl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	5.4	-16.21	0	6	0	74	271.276	2	↓ MOL2 SDF SMILES Flexibase

48629086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-(3-pyridylmethylene)oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	6.86	-10.14	0	5	0	69	268.272	2	↓ MOL2 SDF SMILES Flexibase

48629088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(3-pyridylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	5.9	-9.88	0	5	0	69	268.272	2	↓ MOL2 SDF SMILES Flexibase

48629090

Analogs

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Popular Name: (4Z)-4-benzylidene-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4Z)-4-benzylidene-2-(2,5-dimeth…

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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)	2.70	8.63	-9.18	0	4	0	56	267.284	2	↓ MOL2 SDF SMILES Flexibase

48629092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-benzylidene-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4E)-4-benzylidene-2-(2,5-dimeth…

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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)	2.70	7.65	-9.55	0	4	0	56	267.284	2	↓ MOL2 SDF SMILES Flexibase

48629094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-(2-furylmethylene)oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	6.44	-12.41	0	5	0	69	257.245	2	↓ MOL2 SDF SMILES Flexibase

48629096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(2-furylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	6.64	-12.82	0	5	0	69	257.245	2	↓ MOL2 SDF SMILES Flexibase

48629098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-furyl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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)	2.18	7.26	-12.36	0	5	0	69	271.272	2	↓ MOL2 SDF SMILES Flexibase

48629100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(5-methyl-2-furyl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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)	2.18	7.46	-13.34	0	5	0	69	271.272	2	↓ MOL2 SDF SMILES Flexibase

48629102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-[(3-methyl-2-thienyl)methylene]oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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)	2.98	8.08	-9.8	0	4	0	56	287.34	2	↓ MOL2 SDF SMILES Flexibase

48629104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-[(3-methyl-2-thienyl)methylene]oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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)	2.98	7.44	-9.16	0	4	0	56	287.34	2	↓ MOL2 SDF SMILES Flexibase

48629106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,5-dimethyl-3-furyl)-4-(2-thienylmethylene)oxazol-5-one (4Z)-2-(2,5-dimethyl-3-furyl)-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)	2.60	7.47	-9.77	0	4	0	56	273.313	2	↓ MOL2 SDF SMILES Flexibase

48629108

Analogs

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Popular Name: (4E)-2-(2,5-dimethyl-3-furyl)-4-(2-thienylmethylene)oxazol-5-one (4E)-2-(2,5-dimethyl-3-furyl)-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)	2.60	6.75	-9.11	0	4	0	56	273.313	2	↓ MOL2 SDF SMILES Flexibase

48629110

Analogs

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Popular Name: (4Z)-4-[(4-bromo-2-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4Z)-4-[(4-bromo-2-thienyl)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)	3.34	8.09	-8.95	0	4	0	56	352.209	2	↓ MOL2 SDF SMILES Flexibase

48629112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[(4-bromo-2-thienyl)methylene]-2-(2,5-dimethyl-3-furyl)oxazol-5-one (4E)-4-[(4-bromo-2-thienyl)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)	3.34	7.37	-7.87	0	4	0	56	352.209	2	↓ MOL2 SDF SMILES Flexibase

17994795

Analogs

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Popular Name: (4Z)-2-[(5S,7R)-3-chloro-1-adamantyl]-4-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]oxazol- (4Z)-2-[(5S,7R)-3-chloro-1-adama…

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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)	4.84	10.68	-13.53	0	6	0	71	467.896	6	↓ MOL2 SDF SMILES Flexibase

19995490

Analogs

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Popular Name: (4Z)-4-[(6-methoxy-2-morpholino-3-quinolyl)methylene]-2-phenyl-oxazol-5-one (4Z)-4-[(6-methoxy-2-morpholino-…

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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	8.64	-10.4	0	7	0	78	415.449	4	↓ MOL2 SDF SMILES Flexibase

19995503

Analogs

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Popular Name: (Z)-4-((7-methoxy-2-(piperidin-1-yl)quinolin-3-yl)methylene)-2-phenyloxazol-5(4H)-one (Z)-4-((7-methoxy-2-(piperidin-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)	4.63	11.15	-11.85	0	6	0	68	413.477	4	↓ MOL2 SDF SMILES Flexibase

36118373

Analogs

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Popular Name: ethyl ethyl

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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)	3.58	8.19	-17.39	1	7	0	94	391.836	7	↓ MOL2 SDF SMILES Flexibase

36118378

Analogs

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Popular Name: 3-[[(E)-[2-[(E)-2-(3-nitrophenyl)vinyl]-5-oxo-oxazol-4-ylidene]methyl]amino]benzoic 3-[[(E)-[2-[(E)-2-(3-nitrophenyl…

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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)	3.71	8.9	-61.71	1	9	-1	141	378.32	6	↓ MOL2 SDF SMILES Flexibase

36129541

Analogs

36151096
35026126

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)methylene]-2-(4-phenylphenyl)oxazol-5-one (4Z)-4-[(2-hydroxy-5-nitro-pheny…

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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)	4.98	10.1	-12.68	1	7	0	109	386.363	4	↓ MOL2 SDF SMILES Flexibase

36129543

Analogs

36151096

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)methylene]-2-(3-nitrophenyl)oxazol-5-one (4Z)-4-[(2-hydroxy-5-nitro-pheny…

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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)	3.12	7.39	-15.08	1	10	0	155	355.262	4	↓ MOL2 SDF SMILES Flexibase

36151096

Analogs

35026126
35618458

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)methylene]-2-phenyl-oxazol-5-one (4Z)-4-[(2-hydroxy-5-nitro-pheny…

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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	6.69	-12.19	1	7	0	109	310.265	3	↓ MOL2 SDF SMILES Flexibase

20615653

Analogs

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Popular Name: (4Z)-2-(5-bromo-3-pyridyl)-4-[(4-bromo-2-thienyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-3-pyridyl)-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)	3.83	6.93	-7.04	0	4	0	56	414.078	2	↓ MOL2 SDF SMILES Flexibase

20615656

Analogs

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Popular Name: (4Z)-4-[(6,8-dichloro-4-oxo-chromen-3-yl)methylene]-2-(3,4,5-trimethoxyphenyl)oxazol-5-one (4Z)-4-[(6,8-dichloro-4-oxo-chro…

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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)	4.01	9.18	-11.78	0	8	0	101	476.268	5	↓ MOL2 SDF SMILES Flexibase

20615660

Analogs

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Popular Name: (4Z)-2-(5-bromo-2-furyl)-4-[(6-chloro-4-oxo-chromen-3-yl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-furyl)-4-[(6-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)	3.85	8.13	-9.88	0	6	0	86	420.602	2	↓ MOL2 SDF SMILES Flexibase

20615663

Analogs

1513435
4508106

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Popular Name: (4Z)-2-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-4-[(2,4-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-[3-(2-chlorophenyl)-5-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)	5.53	11.85	-8.93	0	5	0	69	433.678	3	↓ MOL2 SDF SMILES Flexibase

20615665

Analogs

4508106

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Popular Name: (4Z)-4-[(4-bromophenyl)methylene]-2-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]oxazol-5-one (4Z)-4-[(4-bromophenyl)methylene…

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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)	5.06	11.65	-11.79	0	5	0	69	443.684	3	↓ MOL2 SDF SMILES Flexibase

20615668

Analogs

33741924
33768334

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Popular Name: 4-[(Z)-2-chloro-3-phenyl-prop-2-enylidene]-2-(4-nitrophenyl)oxazol-5-one 4-[(Z)-2-chloro-3-phenyl-prop-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)	4.36	9.96	-15.2	0	6	0	89	354.749	4	↓ MOL2 SDF SMILES Flexibase

20615674

Analogs

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Popular Name: (4Z)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-(4-phenylphenyl)oxazol-5-one (4Z)-4-[(E)-3-(2-methoxyphenyl)p…

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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)	5.69	12.08	-11.76	0	4	0	52	381.431	5	↓ MOL2 SDF SMILES Flexibase

20615678

Analogs

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Popular Name: (4Z)-4-[(5-bromo-2-fluoro-phenyl)methylene]-2-(2,4-dichlorophenyl)oxazol-5-one (4Z)-4-[(5-bromo-2-fluoro-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)	5.50	10.72	-6.34	0	3	0	43	415.045	2	↓ MOL2 SDF SMILES Flexibase

20615681

Analogs

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Popular Name: (4Z)-2-(2,4-dichlorophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(2,4-dichlorophenyl)-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)	5.18	10.35	-9.66	0	4	0	52	374.223	4	↓ MOL2 SDF SMILES Flexibase

20615683

Analogs

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Popular Name: (4Z)-2-(2-bromophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylene]oxazol-5-one (4Z)-2-(2-bromophenyl)-4-[[4-(tr…

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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)	5.04	9.51	-8.83	0	4	0	52	412.161	4	↓ MOL2 SDF SMILES Flexibase

20615685

Analogs

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Popular Name: (4Z)-2-(2-bromophenyl)-4-[(4-bromo-2-thienyl)methylene]oxazol-5-one (4Z)-2-(2-bromophenyl)-4-[(4-bro…

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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)	4.71	9.14	-8.48	0	3	0	43	413.09	2	↓ MOL2 SDF SMILES Flexibase

20615688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-bromophenyl)-4-[(4-bromo-2-thienyl)methylene]oxazol-5-one (4Z)-2-(3-bromophenyl)-4-[(4-bro…

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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)	4.73	8.71	-8.31	0	3	0	43	413.09	2	↓ MOL2 SDF SMILES Flexibase

20615691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-bromophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(3-bromophenyl)-4-[(E)-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)	4.68	9.28	-11.25	0	4	0	52	384.229	4	↓ MOL2 SDF SMILES Flexibase

20615693

Analogs

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Popular Name: (4Z)-2-(3-bromophenyl)-4-[(6-chloro-4-oxo-chromen-3-yl)methylene]oxazol-5-one (4Z)-2-(3-bromophenyl)-4-[(6-chl…

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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	10.11	-11.07	0	5	0	73	430.641	2	↓ MOL2 SDF SMILES Flexibase

20615696

Analogs

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Popular Name: (4Z)-2-(4-bromophenyl)-4-[(4-bromo-2-thienyl)methylene]oxazol-5-one (4Z)-2-(4-bromophenyl)-4-[(4-bro…

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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)	4.76	8.72	-6.96	0	3	0	43	413.09	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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