2-phenyl-6-[(E)-3-(4-phenylphenyl)prop-2-enoyl]benzo[de]isoquinoline-1,3-dione
Formula:C33H21NO3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-phenyl-6-[(E)-3-(4-phenylphenyl)prop-2-enoyl]benzo[de]isoquinoline-1,3-dione is not a drug-like molecule.
| MolName | 2-phenyl-6-[(E)-3-(4-phenylphenyl)prop-2-enoyl]benzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C33H21NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1-c1ccccc1)c(c1cccc(C(N2c3ccccc3)=O)c11)ccc1C2=O |
| InChI | InChI=1S/C33H21NO3/c35-30(21-16-22-14-17-24(18-15-22)23-8-3-1-4-9-23)26-19-20-29-31-27(26)12-7-13-28(31)32(36)34(33(29)37)25-10-5-2-6-11-25/h1-21H |
| InChIK | HIMYOUQXQXMZRX-UHFFFAOYSA-N |
| TotalMolweight | 479.534 |
| Molweight | 479.534 |
| MonoisotopicMass | 479.152144 |
| CLogP | 6.9866 |
| CLogS | -9.386 |
| H Acceptors | 4 |
| TotalSurfaceArea | 363.69 |
| Relative PSA | 0.11733 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | 2.5612 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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