Ligand id: 6491

Name: candoxatrilat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 122.16
Molecular weight 399.23
XLogP 0.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Leung D, Abbenante G, Fairlie DP. (2000)
Protease inhibitors: current status and future prospects.
J. Med. Chem., 43 (3): 305-41. [PMID:10669559]