(E)-2-cyano-N-cyclopentyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
Formula:C22H21N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopentyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide |
| MolecularFormula | C22H21N2O2F |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C22H21FN2O2/c23-19-9-5-17(6-10-19)15-27-21-11-7-16(8-12-21)13-18(14-24)22(26)25-20-3-1-2-4-20/h5-13,20H,1-4,15H2,(H,25,26) |
| InChIK | FYERNAKWEHPBNM-UHFFFAOYSA-N |
| TotalMolweight | 364.419 |
| Molweight | 364.419 |
| MonoisotopicMass | 364.158706 |
| CLogP | 3.9422 |
| CLogS | -5.222 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.8 |
| Relative PSA | 0.16414 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -5.0492 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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