(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
Formula:C23H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C23H25N3O3 |
| Smiles | N#C/C(/C(NCCN1CCOCC1)=O)=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H25N3O3/c24-17-21(23(27)25-10-11-26-12-14-28-15-13-26)16-19-6-8-22(9-7-19)29-18-20-4-2-1-3-5-20/h1-9,16H,10-15,18H2,(H,25,27) |
| InChIK | WEYMSURLYHWICM-UHFFFAOYSA-N |
| TotalMolweight | 391.47 |
| Molweight | 391.47 |
| MonoisotopicMass | 391.189592 |
| CLogP | 2.2965 |
| CLogS | -3.094 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.77 |
| Relative PSA | 0.19147 |
| PolarSurfaceArea | 74.59 |
| Druglikeness | 0.64324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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