Ligand id: 7242

Name: mitoxantrone

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 8
Rotatable bonds 12
Topological polar surface area 163.18
Molecular weight 444.2
XLogP -0.6
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Hasinoff BB, Liang H, Wu X, Guziec LJ, Guziec Jr FS, Marshall K, Yalowich JC. (2008)
The structure-based design, synthesis and biological evaluation of DNA-binding bisintercalating bisanthrapyrazole anticancer compounds.
Bioorg. Med. Chem., 16 (7): 3959-68. [PMID:18258442]