3-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one
Formula:C30H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 3-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one |
| MolecularFormula | C30H20N4O3 |
| Smiles | Oc1cccc(/C=C(/C2=O)\N=C(c3ccccc3)N2N(C(c2ccccc2)=Nc2c3cccc2)C3=O)c1 |
| InChI | InChI=1S/C30H20N4O3/c35-23-15-9-10-20(18-23)19-26-30(37)34(28(32-26)22-13-5-2-6-14-22)33-27(21-11-3-1-4-12-21)31-25-17-8-7-16-24(25)29(33)36/h1-19,35H |
| InChIK | IVWHOSKGAIBAAZ-UHFFFAOYSA-N |
| TotalMolweight | 484.514 |
| Molweight | 484.514 |
| MonoisotopicMass | 484.153541 |
| CLogP | 3.3465 |
| CLogS | -5.75 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 358.64 |
| Relative PSA | 0.19323 |
| PolarSurfaceArea | 85.57 |
| Druglikeness | 3.2631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37838 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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