(E)-3-[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C36H26O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C36H26O2 |
| Smiles | O=C(/C=C/c1cccc(/C=C/C(c(cc2)ccc2-c2ccccc2)=O)c1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C36H26O2/c37-35(33-20-16-31(17-21-33)29-10-3-1-4-11-29)24-14-27-8-7-9-28(26-27)15-25-36(38)34-22-18-32(19-23-34)30-12-5-2-6-13-30/h1-26H |
| InChIK | OFUGAUNDHCSIHH-UHFFFAOYSA-N |
| TotalMolweight | 490.6 |
| Molweight | 490.6 |
| MonoisotopicMass | 490.19328 |
| CLogP | 8.2664 |
| CLogS | -10.236 |
| H Acceptors | 2 |
| TotalSurfaceArea | 400.8 |
| Relative PSA | 0.06507 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | 0.1125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 22 |
| StereoCon |
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