compound 5 {PMID: 24900446]

Ligand id: 8655

Name: compound 5 {PMID: 24900446]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 153.41
Molecular weight 548.16
XLogP 5.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Liang G, Chen X, Aldous S, Pu SF, Mehdi S, Powers E, Giovanni A, Kongsamut S, Xia T, Zhang Y et al.. (2012)
Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
ACS Med Chem Lett3 (2): 159-64. [PMID:24900446]