Ligand Id: 1340
Ligand name MCL0129

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 22.19
Molecular weight 546.37
XLogP 7.35
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel