Ligand id: 6834

Name: nitisinone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 94.35
Molecular weight 329.05
XLogP 2.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lin YL, Wu CS, Lin SW, Yang DY. (2000)
SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase.
Bioorg. Med. Chem. Lett., 10 (9): 843-5. [PMID:10853644]