(E)-N-(1-adamantyl)-3-(furan-2-yl)prop-2-enamide
Formula:C17H21NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C17H21NO2 |
| Smiles | O=C(/C=C/c1ccco1)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C17H21NO2/c19-16(4-3-15-2-1-5-20-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19) |
| InChIK | UFSOCWVKVOZWBG-UHFFFAOYSA-N |
| TotalMolweight | 271.359 |
| Molweight | 271.359 |
| MonoisotopicMass | 271.157229 |
| CLogP | 2.6915 |
| CLogS | -4.008 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.63 |
| Relative PSA | 0.18506 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | 1.0384 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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