(3E,6E)-3,6-bis(2-oxo-1,2-diphenylethylidene)piperazine-2,5-dione
Formula:C32H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,6E)-3,6-bis(2-oxo-1,2-diphenylethylidene)piperazine-2,5-dione is a drug-like molecule.
| MolName | (3E,6E)-3,6-bis(2-oxo-1,2-diphenylethylidene)piperazine-2,5-dione |
| MolecularFormula | C32H22N2O4 |
| Smiles | O=C(/C(/c1ccccc1)=C(\C(N/C1=C(/C(c2ccccc2)=O)\c2ccccc2)=O)/NC1=O)c1ccccc1 |
| InChI | InChI=1S/C32H22N2O4/c35-29(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)27-31(37)34-28(32(38)33-27)26(22-15-7-2-8-16-22)30(36)24-19-11-4-12-20-24/h1-20H,(H,33,38)(H,34,37) |
| InChIK | SJNHNGKSMBFXOY-UHFFFAOYSA-N |
| TotalMolweight | 498.537 |
| Molweight | 498.537 |
| MonoisotopicMass | 498.157958 |
| CLogP | 3.8206 |
| CLogS | -6.11 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 378.8 |
| Relative PSA | 0.1982 |
| PolarSurfaceArea | 92.34 |
| Druglikeness | 3.5808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 23 |
| Amides | 2 |
| StereoCon |
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