(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide
Formula:C22H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C22H20N2O2 |
| Smiles | O=C(/C=C/C1=Cc(cccc2CC3)c2N3C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C22H20N2O2/c25-20(23-13-11-16-5-2-1-3-6-16)10-9-19-15-18-8-4-7-17-12-14-24(21(17)18)22(19)26/h1-10,15H,11-14H2,(H,23,25) |
| InChIK | BGBIFUIBMJUPPL-UHFFFAOYSA-N |
| TotalMolweight | 344.413 |
| Molweight | 344.413 |
| MonoisotopicMass | 344.152478 |
| CLogP | 3.1738 |
| CLogS | -4.075 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.53 |
| Relative PSA | 0.15245 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-(2-phenylethyl)prop-2-enamide
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