Ligand id: 2778

Name: calcipotriol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 60.69
Molecular weight 412.3
XLogP 5.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bishop JE, Collins ED, Okamura WH, Norman AW. (1994)
Profile of ligand specificity of the vitamin D binding protein for 1 alpha,25-dihydroxyvitamin D3 and its analogs.
J. Bone Miner. Res., 9 (8): 1277-88. [PMID:7976510]