Ligand id: 8202

Name: BMS-833923

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 78.94
Molecular weight 473.22
XLogP 8.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Akare UR, Bandaru S, Shaheen U, Singh PK, Tiwari G, Singare P, Nayarisseri A, Banerjee T. (2014)
Molecular docking approaches in identification of High affinity inhibitors of Human SMO receptor.
Bioinformation, 10 (12): 737-42. [PMID:25670876]
2. Bahceci S, Bajjalieh W, Chen J, Epshteyn S, Forsyth TP, Huynh TP, Kim BG, Leahy JW, Lee MS, Lewis GL et al.. (2012)
Inhibitors of hedgehog pathway.
Patent number: US8222263. Assignee: Exelixis Patent Company Llc. Priority date: 14/03/2007. Publication date: 17/07/2012.
3. Sandhiya S, Melvin G, Kumar SS, Dkhar SA. (2013)
The dawn of hedgehog inhibitors: Vismodegib.
J Pharmacol Pharmacother, 4 (1): 4-7. [PMID:23662017]