SMILES:
CCC1CCC(=O)O1
Aroma Description:
herbal, coconut, sweet, coumarinic, tobacco, creamy, lactonic, green1
SMILES:
CCC1CCC(=O)O1
Aroma Description:
herbal, coconut, sweet, coumarinic, tobacco, creamy, lactonic, green
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.