2-butanone

SMILES:
CCC(=O)C

Aroma Description:
acetone, camphoraceous, ethereal, fruity1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
 

2-butanone

SMILES:
CCC(=O)C

Aroma Description:
acetone, camphoraceous, ethereal, fruity

Receptor Dock Score Affinity A100 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.
A100: A measure of the degree of activation of the receptor. See Ibrahim et al (2019).