4-[3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Formula:C23H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.
| MolName | 4-[3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione |
| MolecularFormula | C23H24N2O3 |
| Smiles | O=C(/C=C/c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)N1CCCCC1 |
| InChI | InChI=1S/C23H24N2O3/c26-19(24-11-2-1-3-12-24)10-7-15-5-4-6-18(13-15)25-22(27)20-16-8-9-17(14-16)21(20)23(25)28/h4-10,13,16-17,20-21H,1-3,11-12,14H2 |
| InChIK | LNKSWMBHFPWVCY-UHFFFAOYSA-N |
| TotalMolweight | 376.455 |
| Molweight | 376.455 |
| MonoisotopicMass | 376.178693 |
| CLogP | 2.7431 |
| CLogS | -4.125 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.67 |
| Relative PSA | 0.16586 |
| PolarSurfaceArea | 57.69 |
| Druglikeness | 1.3952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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