(E)-3-(3-phenoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Formula:C27H21NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-phenoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-phenoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C27H21NO3 |
| Smiles | O=C(/C=C/c1cc(Oc2ccccc2)ccc1)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C27H21NO3/c29-27(28-22-15-17-25(18-16-22)30-23-9-3-1-4-10-23)19-14-21-8-7-13-26(20-21)31-24-11-5-2-6-12-24/h1-20H,(H,28,29) |
| InChIK | LHLQKDZFTSMJAD-UHFFFAOYSA-N |
| TotalMolweight | 407.468 |
| Molweight | 407.468 |
| MonoisotopicMass | 407.152144 |
| CLogP | 5.9275 |
| CLogS | -8.092 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.25 |
| Relative PSA | 0.13557 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.45422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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