SMILES:
CCCCOC(=O)C1=CC=CC=C1N
Aroma Description:
petitgrain, plum, sweet, grape, fruity, winey, floral, berry, powdery, chemical1
SMILES:
CCCCOC(=O)C1=CC=CC=C1N
Aroma Description:
petitgrain, plum, sweet, grape, fruity, winey, floral, berry, powdery, chemical
| 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.