citibrasine

Ligand id: 8561

Name: citibrasine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 90.15
Molecular weight 331.11
XLogP 3.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Severino RP, Guido RV, Marques EF, Brömme D, da Silva MF, Fernandes JB, Andricopulo AD, Vieira PC. (2011)
Acridone alkaloids as potent inhibitors of cathepsin V.
Bioorg. Med. Chem., 19 (4): 1477-81. [PMID:21277783]