(E)-N-(1-adamantyl)-2-cyano-3-phenylprop-2-enamide
Formula:C20H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-2-cyano-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-2-cyano-3-phenylprop-2-enamide |
| MolecularFormula | C20H22N2O |
| Smiles | N#C/C(/C(NC1(CC(C2)C3)CC3CC2C1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C20H22N2O/c21-13-18(9-14-4-2-1-3-5-14)19(23)22-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,9,15-17H,6-8,10-12H2,(H,22,23) |
| InChIK | UJRYISFUDGGMTA-UHFFFAOYSA-N |
| TotalMolweight | 306.408 |
| Molweight | 306.408 |
| MonoisotopicMass | 306.173213 |
| CLogP | 3.3548 |
| CLogS | -4.598 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.86 |
| Relative PSA | 0.15934 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -0.79958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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