compound 7b [Haftchenary et al., 2013]

Ligand id: 8850

Name: compound 7b [Haftchenary et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 126.84
Molecular weight 629.26
XLogP 8.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Haftchenary S, Ball DP, Aubry I, Landry M, Shahani VM, Fletcher S, Page BDG, Jouk AO, Tremblay ML, Gunning PT. (2013)
Identification of a potent salicylic acid-based inhibitor of tyrosine phosphatase PTP1B.
MedChemComm., (4): 987-992.