compound 20 [PMID: 22153340]

Ligand id: 6568

Name: compound 20 [PMID: 22153340]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.13
Molecular weight 427.11
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wu Y, Li J, Wu J, Morgan P, Xu X, Rancati F, Vallese S, Raveglia L, Hotchandani R, Fuller N et al.. (2012)
Discovery of potent and selective matrix metalloprotease 12 inhibitors for the potential treatment of chronic obstructive pulmonary disease (COPD).
Bioorg. Med. Chem. Lett., 22 (1): 138-43. [PMID:22153340]