2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
Formula:C30H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C30H21N3O2 |
| Smiles | O=C1N(Cc2ccccc2)c(cccc2)c2/C1=C/C(N1c2ccccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C30H21N3O2/c34-29-25(23-15-8-10-18-27(23)32(29)20-21-11-3-1-4-12-21)19-28-31-26-17-9-7-16-24(26)30(35)33(28)22-13-5-2-6-14-22/h1-19H,20H2 |
| InChIK | UFXYQECFGBHXSE-UHFFFAOYSA-N |
| TotalMolweight | 455.516 |
| Molweight | 455.516 |
| MonoisotopicMass | 455.163377 |
| CLogP | 4.4856 |
| CLogS | -5.974 |
| H Acceptors | 5 |
| TotalSurfaceArea | 343.08 |
| Relative PSA | 0.13026 |
| PolarSurfaceArea | 52.98 |
| Druglikeness | 4.2093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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