Ligand id: 8817

Name: D-e-MAPP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 49.33
Molecular weight 361.3
XLogP 8.92
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bhabak KP, Arenz C. (2012)
Novel amide- and sulfonamide-based aromatic ethanolamines: effects of various substituents on the inhibition of acid and neutral ceramidases.
Bioorg. Med. Chem., 20 (20): 6162-70. [PMID:22989912]