compound 2 [PMID: 11934595]

Ligand id: 8562

Name: compound 2 [PMID: 11934595]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 151.02
Molecular weight 490.09
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dankwardt SM, Abbot SC, Broka CA, Martin RL, Chan CS, Springman EB, Van Wart HE, Walker KA. (2002)
Amino acid derived sulfonamide hydroxamates as inhibitors of procollagen C-proteinase. Part 2: Solid-phase optimization of side chains.
Bioorg. Med. Chem. Lett., 12 (8): 1233-5. [PMID:11934595]