(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C33H32N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C33H32N2O2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C33H32N2O2/c36-32(21-18-27-16-19-31(20-17-27)37-26-28-10-4-1-5-11-28)34-22-24-35(25-23-34)33(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,33H,22-26H2 |
| InChIK | KFFHTGPMHCYYIF-UHFFFAOYSA-N |
| TotalMolweight | 488.629 |
| Molweight | 488.629 |
| MonoisotopicMass | 488.246378 |
| CLogP | 6.2545 |
| CLogS | -5.122 |
| H Acceptors | 4 |
| TotalSurfaceArea | 395.19 |
| Relative PSA | 0.076267 |
| PolarSurfaceArea | 32.78 |
| Druglikeness | 5.2763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 14 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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