(E)-N-(3-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
Formula:C20H18N3O2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-N-(3-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H18N3O2Cl |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H18ClN3O2/c21-17-2-1-3-18(13-17)23-20(25)16(14-22)12-15-4-6-19(7-5-15)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H,23,25) |
| InChIK | URAVBKVVQKCFAQ-UHFFFAOYSA-N |
| TotalMolweight | 367.835 |
| Molweight | 367.835 |
| MonoisotopicMass | 367.108754 |
| CLogP | 3.2633 |
| CLogS | -4.609 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.91 |
| Relative PSA | 0.18051 |
| PolarSurfaceArea | 65.36 |
| Druglikeness | -0.61703 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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