SMILES:
C[C@@H]1CC[C@]2\3C[C@H]1C([C@@H]2CC/C3=C/C(=O)C)(C)C
Aroma Description:
warm, woody, amber, musk1
SMILES:
C[C@@H]1CC[C@]2\3C[C@H]1C([C@@H]2CC/C3=C/C(=O)C)(C)C
Aroma Description:
warm, woody, amber, musk
| Receptor | Agonist? | Dock Score | Pose1 | LSRB - LSP | Correlated Perceptual Qualities |
|---|
Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.