Ligand id: 8960

Name: enasidenib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 108.74
Molecular weight 473.14
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cianchetta G, Delabarre B, Popovici-Muller J, Salituro FG, Saunders JO, Travins J, Yan S, Guo T, Zhang L. (2013)
Therapeutically active compounds and their methods of use.
Patent number: US20130190287 A1. Assignee: Agios Pharmaceuticals, Inc.. Priority date: 06/01/2012. Publication date: 25/07/2013.