compound 29e [PMID: 23631440]

Ligand id: 8578

Name: compound 29e [PMID: 23631440]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 151.99
Molecular weight 505.17
XLogP 3.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Jin Y, Roycik MD, Bosco DB, Cao Q, Constantino MH, Schwartz MA, Sang QX. (2013)
Matrix metalloproteinase inhibitors based on the 3-mercaptopyrrolidine core.
J. Med. Chem., 56 (11): 4357-73. [PMID:23631440]