eribulin

Ligand id: 6813

Name: eribulin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 146.39
Molecular weight 729.41
XLogP 0.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Narayan S, Carlson EM, Cheng H, Condon K, Du H, Eckley S, Hu Y, Jiang Y, Kumar V, Lewis BM et al.. (2011)
Novel second generation analogs of eribulin. Part III: Blood-brain barrier permeability and in vivo activity in a brain tumor model.
Bioorg. Med. Chem. Lett.21 (6): 1639-43. [PMID:21324687]