(Z)-N-(1-adamantyl)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
Formula:C20H22NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(1-adamantyl)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide is a drug-like molecule.
| MolName | (Z)-N-(1-adamantyl)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide |
| MolecularFormula | C20H22NO3Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C\C(C(NC1(CC(C2)C3)CC3CC2C1)=O)=O |
| InChI | InChI=1S/C20H22ClNO3/c21-16-3-1-15(2-4-16)17(23)8-18(24)19(25)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14,23H,5-7,9-11H2,(H,22,25) |
| InChIK | IWOLPNZBBJAUCA-UHFFFAOYSA-N |
| TotalMolweight | 359.852 |
| Molweight | 359.852 |
| MonoisotopicMass | 359.128821 |
| CLogP | 2.8051 |
| CLogS | -4.517 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256.67 |
| Relative PSA | 0.1973 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 0.44333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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