2-(4-phenylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
Formula:C27H28N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-phenylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is not a drug-like molecule.
| MolName | 2-(4-phenylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone |
| MolecularFormula | C27H28N2O |
| Smiles | O=C(Cc(cc1)ccc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C27H28N2O/c30-27(22-24-13-15-26(16-14-24)25-11-5-2-6-12-25)29-20-18-28(19-21-29)17-7-10-23-8-3-1-4-9-23/h1-16H,17-22H2 |
| InChIK | QRLRWKZFEAJWAR-UHFFFAOYSA-N |
| TotalMolweight | 396.532 |
| Molweight | 396.532 |
| MonoisotopicMass | 396.220163 |
| CLogP | 5.2799 |
| CLogS | -4.719 |
| H Acceptors | 3 |
| TotalSurfaceArea | 326.69 |
| Relative PSA | 0.061649 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 7.9996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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