Ligand id: 2651

Name: BMS641

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 414.14
XLogP 12.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Germain P, Kammerer S, PĂ©rez E, Peluso-Iltis C, Tortolani D, Zusi FC, Starrett J, Lapointe P, Daris JP, Marinier A, de Lera AR, Rochel N, Gronemeyer H. (2004)
Rational design of RAR-selective ligands revealed by RARbeta crystal stucture.
EMBO Rep., 5 (9): 877-82. [PMID:15319780]