3,3-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
Formula:C28H30N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,3-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one is not a drug-like molecule.
| MolName | 3,3-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one |
| MolecularFormula | C28H30N2O |
| Smiles | O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H30N2O/c31-28(23-27(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-17,27H,18-23H2 |
| InChIK | YSEJUFKHKNFETC-UHFFFAOYSA-N |
| TotalMolweight | 410.559 |
| Molweight | 410.559 |
| MonoisotopicMass | 410.235813 |
| CLogP | 5.6027 |
| CLogS | -4.052 |
| H Acceptors | 3 |
| TotalSurfaceArea | 339.19 |
| Relative PSA | 0.059377 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 8.2674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 12 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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