Ligand id: 3135

Name: 1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 47.56
Molecular weight 351.18
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Ishihara T, Kakuta H, Moritani H, Ugawa T, Yanagisawa I. (2004)
Synthesis and biological evaluation of novel propylamine derivatives as orally active squalene synthase inhibitors.
Bioorg. Med. Chem., 12 (22): 5899-908. [PMID:15498666]