[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] morpholine-4-carboxylate
Formula:C26H23NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] morpholine-4-carboxylate |
| MolecularFormula | C26H23NO4 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(N1CCOCC1)=O)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C26H23NO4/c28-25(23-11-9-22(10-12-23)21-4-2-1-3-5-21)15-8-20-6-13-24(14-7-20)31-26(29)27-16-18-30-19-17-27/h1-15H,16-19H2 |
| InChIK | DDTDTBNGPMWCFX-UHFFFAOYSA-N |
| TotalMolweight | 413.472 |
| Molweight | 413.472 |
| MonoisotopicMass | 413.162709 |
| CLogP | 4.9142 |
| CLogS | -6.11 |
| H Acceptors | 5 |
| TotalSurfaceArea | 326.62 |
| Relative PSA | 0.15195 |
| PolarSurfaceArea | 55.84 |
| Druglikeness | -1.8301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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