1-adamantyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C24H32N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-adamantyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | 1-adamantyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C24H32N2O |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C24H32N2O/c27-23(24-16-20-13-21(17-24)15-22(14-20)18-24)26-11-9-25(10-12-26)8-4-7-19-5-2-1-3-6-19/h1-7,20-22H,8-18H2 |
| InChIK | GJWRCQFVCWROFR-UHFFFAOYSA-N |
| TotalMolweight | 364.531 |
| Molweight | 364.531 |
| MonoisotopicMass | 364.251463 |
| CLogP | 4.0759 |
| CLogS | -3.653 |
| H Acceptors | 3 |
| TotalSurfaceArea | 283.38 |
| Relative PSA | 0.071071 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 8.6864 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-adamantyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - 1-adamantyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off