(5E)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one
Formula:C27H25NO
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(5E)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one is not a drug-like molecule.
| MolName | (5E)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one |
| MolecularFormula | C27H25NO |
| Smiles | O=C(C1(CCC2)N(Cc3ccccc3)C1c1ccccc1)/C2=C/c1ccccc1 |
| InChI | InChI=1S/C27H25NO/c29-26-24(19-21-11-4-1-5-12-21)17-10-18-27(26)25(23-15-8-3-9-16-23)28(27)20-22-13-6-2-7-14-22/h1-9,11-16,19,25H,10,17-18,20H2 |
| InChIK | KHURGIKVMGDILD-UHFFFAOYSA-N |
| TotalMolweight | 379.502 |
| Molweight | 379.502 |
| MonoisotopicMass | 379.193614 |
| CLogP | 5.3 |
| CLogS | -4.799 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.49 |
| Relative PSA | 0.049543 |
| PolarSurfaceArea | 20.08 |
| Druglikeness | 0.79932 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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