Ligand id: 6975

Name: vismodegib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 84.51
Molecular weight 420.01
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wang J, Mook Jr RA, Lu J, Gooden DM, Ribeiro A, Guo A, Barak LS, Lyerly HK, Chen W. (2012)
Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling.
Bioorg. Med. Chem., 20 (22): 6751-7. [PMID:23063522]