compound 16 [PMID: 18800762]

Ligand id: 3195

Name: compound 16 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 137.92
Molecular weight 387.19
XLogP 2.43
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]