SMILES:
CC(=O)C1=CC=C(C=C1)OC
Aroma Description:
sweet, hawthorn, anisic, powdery, balsamic, acacia, vanilla, maraschino_cherry, fruity, cherry1
SMILES:
CC(=O)C1=CC=C(C=C1)OC
Aroma Description:
sweet, hawthorn, anisic, powdery, balsamic, acacia, vanilla, maraschino_cherry, fruity, cherry
| 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.