(E)-3-(2-chlorophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]prop-2-enamide
Formula:C26H24N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]prop-2-enamide |
| MolecularFormula | C26H24N3O2Cl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc(cccc1)c1C(N(CC1)CCN1c1ccccc1)=O |
| InChI | InChI=1S/C26H24ClN3O2/c27-23-12-6-4-8-20(23)14-15-25(31)28-24-13-7-5-11-22(24)26(32)30-18-16-29(17-19-30)21-9-2-1-3-10-21/h1-15H,16-19H2,(H,28,31) |
| InChIK | JSVMRDYFQPLKRH-UHFFFAOYSA-N |
| TotalMolweight | 445.949 |
| Molweight | 445.949 |
| MonoisotopicMass | 445.155704 |
| CLogP | 5.0212 |
| CLogS | -5.291 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.8 |
| Relative PSA | 0.12984 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 5.7169 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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