compound 3a [PMID: 22873688]

Ligand id: 5911

Name: compound 3a [PMID: 22873688]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 257.29
Molecular weight 470.05
XLogP -3.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Yelovitch S, Barr HM, Camden J, Weisman GA, Shai E, Varon D, Fischer B. (2012)
Identification of a promising drug candidate for the treatment of type 2 diabetes based on a P2Y(1) receptor agonist.
J. Med. Chem., 55 (17): 7623-35. [PMID:22873688]