2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-phenylquinazolin-4-one
Formula:C31H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-phenylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C31H23N3O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cn(Cc3ccccc3)c3c2cccc3)N1c1ccccc1 |
| InChI | InChI=1S/C31H23N3O/c35-31-27-16-7-9-17-28(27)32-30(34(31)25-13-5-2-6-14-25)20-19-24-22-33(21-23-11-3-1-4-12-23)29-18-10-8-15-26(24)29/h1-20,22H,21H2 |
| InChIK | PUXOQRFLOXFMPA-UHFFFAOYSA-N |
| TotalMolweight | 453.544 |
| Molweight | 453.544 |
| MonoisotopicMass | 453.184112 |
| CLogP | 5.8398 |
| CLogS | -6.036 |
| H Acceptors | 4 |
| TotalSurfaceArea | 354.12 |
| Relative PSA | 0.098752 |
| PolarSurfaceArea | 37.6 |
| Druglikeness | 3.1465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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