compound 21 [PMID: 23981033]

Ligand id: 8884

Name: compound 21 [PMID: 23981033]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 89.35
Molecular weight 447.23
XLogP 3.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Griffith DA, Dow RL, Huard K, Edmonds DJ, Bagley SW, Polivkova J, Zeng D, Garcia-Irizarry CN, Southers JA, Esler W et al.. (2013)
Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure.
J. Med. Chem., 56 (17): 7110-9. [PMID:23981033]