compound 16 [PMID: 19097778]

Ligand id: 8837

Name: compound 16 [PMID: 19097778]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 156.91
Molecular weight 406.13
XLogP 0.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Gupte A, Buolamwini JK. (2009)
Synthesis and biological evaluation of phloridzin analogs as human concentrative nucleoside transporter 3 (hCNT3) inhibitors.
Bioorg. Med. Chem. Lett.19 (3): 917-21. [PMID:19097778]