Ligand id: 3424

Name: AS604872

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 113.05
Molecular weight 515.13
XLogP 8.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cirillo R, Tos EG, Page P, Missotten M, Quattropani A, Scheer A, Schwarz MK, Chollet A. (2007)
Arrest of preterm labor in rat and mouse by an oral and selective nonprostanoid antagonist of the prostaglandin F2alpha receptor (FP).
Am. J. Obstet. Gynecol., 197 (1): 54.e1-9. [PMID:17618756]