compound 4g [PMID: 21316219]

Ligand id: 8211

Name: compound 4g [PMID: 21316219]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 74.43
Molecular weight 352.13
XLogP 5.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Herdemann M, Weber A, Jonveaux J, Schwoebel F, Stoeck M, Heit I. (2011)
Optimisation of ITK inhibitors through successive iterative design cycles.
Bioorg. Med. Chem. Lett.21 (6): 1852-6. [PMID:21316219]