compound 12 [PMID: 12014956]

Ligand id: 3192

Name: compound 12 [PMID: 12014956]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 136.15
Molecular weight 399.16
XLogP 0.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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]