Ligand id: 3386

Name: AL12180

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 96.22
Molecular weight 410.15
XLogP 3.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Sharif NA, McLaughlin MA, Kelly CR, Xu S, Crider JY, Williams GW, Parker JL. (2006)
Preclinical pharmacology of AL-12182, a new ocular hypotensive 11-oxa prostaglandin analog.
J Ocul Pharmacol Ther, 22 (5): 291-309. [PMID:17076623]