BPH-742

Ligand id: 3189

Name: BPH-742

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 137.51
Molecular weight 418.18
XLogP 4.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. K-M Chen C, Hudock MP, Zhang Y, Guo RT, Cao R, No JH, Liang PH, Ko TP, Chang TH, Chang SC et al.. (2008)
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation.
J. Med. Chem.51 (18): 5594-607. [PMID:18800762]