(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-phenylprop-2-enamide
Formula:C31H22N4O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-phenylprop-2-enamide |
| MolecularFormula | C31H22N4O |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1 |
| InChI | InChI=1S/C31H22N4O/c32-22-26(31(36)33-27-14-8-3-9-15-27)20-23-16-18-28(19-17-23)35-30(25-12-6-2-7-13-25)21-29(34-35)24-10-4-1-5-11-24/h1-21H,(H,33,36) |
| InChIK | YOROUAJXBBGRJT-UHFFFAOYSA-N |
| TotalMolweight | 466.543 |
| Molweight | 466.543 |
| MonoisotopicMass | 466.179361 |
| CLogP | 5.6575 |
| CLogS | -7.061 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 375.89 |
| Relative PSA | 0.14871 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | 0.43314 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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