SMILES:
CCCCCCC1CCCC(=O)O1
Aroma Description:
creamy, fatty, coconut, fruity, peach, waxy, peach, milky, lactonic, green1
SMILES:
CCCCCCC1CCCC(=O)O1
Aroma Description:
creamy, fatty, coconut, fruity, peach, waxy, peach, milky, lactonic, green
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.