2,2-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
Formula:C27H28N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,2-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is not a drug-like molecule.
| MolName | 2,2-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone |
| MolecularFormula | C27H28N2O |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C27H28N2O/c30-27(26(24-14-6-2-7-15-24)25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2 |
| InChIK | KKLUWNBNMGQBKI-UHFFFAOYSA-N |
| TotalMolweight | 396.532 |
| Molweight | 396.532 |
| MonoisotopicMass | 396.220163 |
| CLogP | 5.1483 |
| CLogS | -3.782 |
| H Acceptors | 3 |
| TotalSurfaceArea | 325.43 |
| Relative PSA | 0.061887 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 8.6572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| 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 | 12 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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