Ligand id: 8962

Name: asciminib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 103.37
Molecular weight 449.11
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dodd SK, Furet P, Grotzfeld RM, Jones DB, Manley P, Marizinik A, Pelle XFA, Salem B, Schoepfer J. (2013)
Benzamide derivatives for inhibiting the activity of ABL1, ABL2 and BCR-ABL1.
Patent number: WO2013171639 A1. Assignee: Novartis Ag.. Priority date: 15/05/2012. Publication date: 21/11/2013.