analog 3 [Vlattas et al., 1996]

Ligand id: 7994

Name: analog 3 [Vlattas et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 173.45
Molecular weight 293.01
XLogP -3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel