(E)-N-(1-adamantylmethyl)-3-phenylprop-2-enamide
Formula:C20H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantylmethyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantylmethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C20H25NO |
| Smiles | O=C(/C=C/c1ccccc1)NCC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C20H25NO/c22-19(7-6-15-4-2-1-3-5-15)21-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-7,16-18H,8-14H2,(H,21,22) |
| InChIK | IAWBZLPDUUUBDX-UHFFFAOYSA-N |
| TotalMolweight | 295.425 |
| Molweight | 295.425 |
| MonoisotopicMass | 295.193614 |
| CLogP | 3.731 |
| CLogS | -4.446 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 232.7 |
| Relative PSA | 0.10529 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.95685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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