compound 1b [PMID: 16290936]

Ligand id: 8613

Name: compound 1b [PMID: 16290936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 55.4
Molecular weight 277.17
XLogP 5.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA et al.. (2006)
Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?.
Bioorg. Med. Chem. Lett., 16 (4): 978-83. [PMID:16290936]