SMILES:
CCC(CC)C(=O)N(C)c1cccc(c1)C
Aroma Description:
bitter, tropical, grapefruit, rhubarb, guava1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|
SMILES:
CCC(CC)C(=O)N(C)c1cccc(c1)C
Aroma Description:
bitter, tropical, grapefruit, rhubarb, guava
| 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.