(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
Formula:C20H23NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide is a drug-like molecule.
| MolName | (Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide |
| MolecularFormula | C20H23NO3 |
| Smiles | O/C(/c1ccccc1)=C\C(C(NC1(CC(C2)C3)CC3CC2C1)=O)=O |
| InChI | InChI=1S/C20H23NO3/c22-17(16-4-2-1-3-5-16)9-18(23)19(24)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15,22H,6-8,10-12H2,(H,21,24) |
| InChIK | GRCGALLUQWVLOK-UHFFFAOYSA-N |
| TotalMolweight | 325.407 |
| Molweight | 325.407 |
| MonoisotopicMass | 325.167794 |
| CLogP | 2.1991 |
| CLogS | -3.781 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 241.25 |
| Relative PSA | 0.20991 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 0.39262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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