(E)-2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-naphthalen-2-ylprop-2-enamide
Formula:C24H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-naphthalen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-naphthalen-2-ylprop-2-enamide |
| MolecularFormula | C24H16N2O2 |
| Smiles | N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c(c1ccccc1cc1)c1O |
| InChI | InChI=1S/C24H16N2O2/c25-15-19(14-22-21-8-4-3-6-17(21)10-12-23(22)27)24(28)26-20-11-9-16-5-1-2-7-18(16)13-20/h1-14,27H,(H,26,28) |
| InChIK | DDKHIXRRFAYONE-UHFFFAOYSA-N |
| TotalMolweight | 364.403 |
| Molweight | 364.403 |
| MonoisotopicMass | 364.121178 |
| CLogP | 5.0314 |
| CLogS | -6.686 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 284.2 |
| Relative PSA | 0.18001 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -1.7495 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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