3-azageranylgeranyl diphosphate

Ligand id: 3199

Name: 3-azageranylgeranyl diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 136.15
Molecular weight 453.2
XLogP 2.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Szabo CM, Matsumura Y, Fukura S, Martin MB, Sanders JM, Sengupta S, Cieslak JA, Loftus TC, Lea CR, Lee HJ et al.. (2002)
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates and diphosphates: a potential route to new bone antiresorption and antiparasitic agents.
J. Med. Chem.45 (11): 2185-96. [PMID:12014956]