compound 13 [PMID: 23098072]

Ligand id: 8888

Name: compound 13 [PMID: 23098072]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 41
Hydrogen bond donors 10
Rotatable bonds 107
Topological polar surface area 647.95
Molecular weight 2260.14
XLogP 10.98
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

1. Huynh AS, Chung WJ, Cho HI, Moberg VE, Celis E, Morse DL, Vagner J. (2012)
Novel toll-like receptor 2 ligands for targeted pancreatic cancer imaging and immunotherapy.
J. Med. Chem.55 (22): 9751-62. [PMID:23098072]