compound 16 [PMID: 23412139]

Ligand id: 8698

Name: compound 16 [PMID: 23412139]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 99.82
Molecular weight 372.08
XLogP 2.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Stamford AW, Scott JD, Li SW, Babu S, Tadesse D, Hunter R, Wu Y, Misiaszek J, Cumming JN, Gilbert EJ et al.. (2012)
Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction.
ACS Med Chem Lett, 3 (11): 897-902. [PMID:23412139]