(S)-crizotinib

Ligand id: 7581

Name: (S)-crizotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 77.99
Molecular weight 449.12
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Huber KV, Salah E, Radic B, Gridling M, Elkins JM, Stukalov A, Jemth AS, Göktürk C, Sanjiv K, Strömberg K et al.. (2014)
Stereospecific targeting of MTH1 by (S)-crizotinib as an anticancer strategy.
Nature508 (7495): 222-7. [PMID:24695225]