(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C26H18N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C26H18N3O2F3 |
| Smiles | N#C/C(/C(Nc1c(C(F)(F)F)cccc1)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1 |
| InChI | InChI=1S/C26H18F3N3O2/c27-26(28,29)22-8-4-5-9-24(22)32-25(33)18(14-30)12-19-15-31-23-11-10-20(13-21(19)23)34-16-17-6-2-1-3-7-17/h1-13,15,31H,16H2,(H,32,33) |
| InChIK | MFAPHANICYBZPU-UHFFFAOYSA-N |
| TotalMolweight | 461.442 |
| Molweight | 461.442 |
| MonoisotopicMass | 461.135111 |
| CLogP | 5.2241 |
| CLogS | -6.414 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 345.8 |
| Relative PSA | 0.17944 |
| PolarSurfaceArea | 77.91 |
| Druglikeness | -9.1736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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