(E)-1-morpholin-4-yl-3-phenyl-2-pyridin-4-ylprop-2-en-1-one
Formula:C18H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-morpholin-4-yl-3-phenyl-2-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-morpholin-4-yl-3-phenyl-2-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C18H18N2O2 |
| Smiles | O=C(/C(/c1ccncc1)=C/c1ccccc1)N1CCOCC1 |
| InChI | InChI=1S/C18H18N2O2/c21-18(20-10-12-22-13-11-20)17(16-6-8-19-9-7-16)14-15-4-2-1-3-5-15/h1-9,14H,10-13H2 |
| InChIK | JZCAPRYWVLWDHZ-UHFFFAOYSA-N |
| TotalMolweight | 294.353 |
| Molweight | 294.353 |
| MonoisotopicMass | 294.136828 |
| CLogP | 1.999 |
| CLogS | -1.858 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.08 |
| Relative PSA | 0.1591 |
| PolarSurfaceArea | 42.43 |
| Druglikeness | 3.8776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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