(6E)-1-benzyl-6-benzylidenepiperazine-2,5-dione
Formula:C18H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-1-benzyl-6-benzylidenepiperazine-2,5-dione is a drug-like molecule.
| MolName | (6E)-1-benzyl-6-benzylidenepiperazine-2,5-dione |
| MolecularFormula | C18H16N2O2 |
| Smiles | O=C(CNC1=O)N(Cc2ccccc2)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C18H16N2O2/c21-17-12-19-18(22)16(11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,19,22) |
| InChIK | JJCAIOAPURTFJY-UHFFFAOYSA-N |
| TotalMolweight | 292.337 |
| Molweight | 292.337 |
| MonoisotopicMass | 292.121178 |
| CLogP | 1.9596 |
| CLogS | -3.003 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.01 |
| Relative PSA | 0.17942 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 4.842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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