(E)-N-benzyl-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
Formula:C28H22N2O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C28H22N2O2 |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\c1cc(OCc2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C28H22N2O2/c29-18-25(28(31)30-19-21-8-2-1-3-9-21)16-22-10-6-14-26(17-22)32-20-24-13-7-12-23-11-4-5-15-27(23)24/h1-17H,19-20H2,(H,30,31) |
| InChIK | DYZIUQSPOFTPJV-UHFFFAOYSA-N |
| TotalMolweight | 418.495 |
| Molweight | 418.495 |
| MonoisotopicMass | 418.168128 |
| CLogP | 5.2402 |
| CLogS | -6.533 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.53 |
| Relative PSA | 0.14113 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -1.5162 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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