(E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
Formula:C20H20N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H20N2O4 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H20N2O4/c23-20(8-2-15-1-7-18-19(13-15)26-14-25-18)21-16-3-5-17(6-4-16)22-9-11-24-12-10-22/h1-8,13H,9-12,14H2,(H,21,23) |
| InChIK | DYQMNTMXFJHXCG-UHFFFAOYSA-N |
| TotalMolweight | 352.389 |
| Molweight | 352.389 |
| MonoisotopicMass | 352.142308 |
| CLogP | 2.9167 |
| CLogS | -4.312 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.83 |
| Relative PSA | 0.21434 |
| PolarSurfaceArea | 60.03 |
| Druglikeness | 0.96053 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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