compound 3 [PMID: 17942791]

Ligand id: 8556

Name: compound 3 [PMID: 17942791]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 82.45
Molecular weight 370.13
XLogP 5.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Manandhar SP, Hildebrandt ER, Schmidt WK. (2007)
Small-molecule inhibitors of the Rce1p CaaX protease.
J Biomol Screen12 (7): 983-93. [PMID:17942791]