(E)-N-[4-(1-adamantyl)phenyl]-3-(5-bromofuran-2-yl)prop-2-enamide
Formula:C23H24NO2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[4-(1-adamantyl)phenyl]-3-(5-bromofuran-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[4-(1-adamantyl)phenyl]-3-(5-bromofuran-2-yl)prop-2-enamide |
| MolecularFormula | C23H24NO2Br |
| Smiles | O=C(/C=C/c(o1)ccc1Br)Nc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1 |
| InChI | InChI=1S/C23H24BrNO2/c24-21-7-5-20(27-21)6-8-22(26)25-19-3-1-18(2-4-19)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17H,9-14H2,(H,25,26) |
| InChIK | LFQAWDGNMYBKJN-UHFFFAOYSA-N |
| TotalMolweight | 426.353 |
| Molweight | 426.353 |
| MonoisotopicMass | 425.09904 |
| CLogP | 5.2779 |
| CLogS | -6.485 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 287.02 |
| Relative PSA | 0.13452 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -1.9069 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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