(E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)prop-2-en-1-one
Formula:C25H23NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C25H23NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Oc1ccccc1)c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C25H23NO3/c27-25(21-9-11-22(12-10-21)26-16-18-28-19-17-26)15-8-20-6-13-24(14-7-20)29-23-4-2-1-3-5-23/h1-15H,16-19H2 |
| InChIK | QDSJNTQFCZNVDM-UHFFFAOYSA-N |
| TotalMolweight | 385.462 |
| Molweight | 385.462 |
| MonoisotopicMass | 385.167794 |
| CLogP | 4.3684 |
| CLogS | -6.24 |
| H Acceptors | 4 |
| TotalSurfaceArea | 308.87 |
| Relative PSA | 0.11846 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | 2.1759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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