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. 2020 Mar 3;25(5):1135. doi: 10.3390/molecules25051135
ABS Absorption
ADME absorption, distribution, metabolism and excretion
BBB blood-brain barrier
BOILED-Egg brain or intestinal estimated
CNS central nervous system
CPCM Conductor-like Polarizable Continuum Model
CSD Cambridge Structure Database
DFMO difluoroornithine
DFT Density Functional Theory
de distances from the Hirshfeld surface to the nearest atom outside (external) the surface
di distances from the Hirshfeld surface to the nearest atom inside (internal) the surface
dnorm normalized contact distance
EP molecular electrostatic potential
FLEX flexibility
HIA human gastrointestinal absorption
HS Hirshfeld surface analysis
FP fingerprint plots
GI gastro intestinal absorption
INSATU insaturation
INSOLU insolubility
LIPO lipophilicilty
LSAM Long-Range Synthon Aufbau Module
LSHB the Lippincott and Schroeder H-bond model
P-gp P-glycoprotein
POLAR polarity
RCSB PDB Research Collaboratory fof Structural Bioinformatics
RO5 rule-of-five
SC-XRD single-crystal X-ray diffraction
SMILES simplified molecular-input line-entry system
SIB Swiss Institute of Bioinformatics
TPSA topological polar surface area
vdW van derWaals radii