(3E,5E)-1-benzyl-3,5-dibenzylidenepiperidin-4-ol
Formula:C26H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-1-benzyl-3,5-dibenzylidenepiperidin-4-ol is not a drug-like molecule.
| MolName | (3E,5E)-1-benzyl-3,5-dibenzylidenepiperidin-4-ol |
| MolecularFormula | C26H25NO |
| Smiles | OC(/C(/CN(Cc1ccccc1)C1)=C/c2ccccc2)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C26H25NO/c28-26-24(16-21-10-4-1-5-11-21)19-27(18-23-14-8-3-9-15-23)20-25(26)17-22-12-6-2-7-13-22/h1-17,26,28H,18-20H2 |
| InChIK | KEQFHIMMIJJNJC-UHFFFAOYSA-N |
| TotalMolweight | 367.491 |
| Molweight | 367.491 |
| MonoisotopicMass | 367.193614 |
| CLogP | 5.0578 |
| CLogS | -4.475 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 299.13 |
| Relative PSA | 0.055661 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 3.3288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 13 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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