Ligand id: 8289

Name: AAE-M-PBP-amine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 41.57
Molecular weight 340.22
XLogP 6.28
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Rivara S, Pala D, Lodola A, Mor M, Lucini V, Dugnani S, Scaglione F, Bedini A, Lucarini S, Tarzia G et al.. (2012)
MT1-selective melatonin receptor ligands: synthesis, pharmacological evaluation, and molecular dynamics investigation of N-{[(3-O-substituted)anilino]alkyl}amides.
ChemMedChem, 7 (11): 1954-64. [PMID:22927210]