theophylline

Ligand id: 413

Name: theophylline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 69.3
Molecular weight 180.06
XLogP -0.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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