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. 2019 Apr 17;24(8):1505. doi: 10.3390/molecules24081505
#stars number of property or descriptors values that fall outside the 95% range of similar values for known drugs.
%Human percent human oral absorption
accptHB estimated number of hydrogen bounds that would be donated,
AlogP octanol/water partition coefficient
ClQPlogS conformation independent predicted aquenos solubility
CNS predicted central nervous system activity
donorHB estimated number of hydrogen bounds
FISA a component of SASA
FOSA hydrophobic component of the SASA
Glob globularity descriptor
Human human oral absorbtion
in34 number of atoms in 3 or 4 membered rings
in56 number of atoms in 5 or 6 membered rings
Jm predicted maximum transdermal transport
metab number of likely metabolic reactions
noncom number of ring atoms not able to form conjugated aromatic systems
nonHatm number of heavy atoms
PEOE1 total positive van der Waals surface area
PISA number of carbon atoms and the attached hydrogens
Polar polarity
PSA polar surface area
QPlogBB predicted brain blood partition coefficient
QPlogHERG predicted IC50 value for blok HERG chanels
QPlogKhsa prediction of binding to serum albumin
QplogKp predicted skin permeability
QPlogPC16 predicted hexadecane gas partition coefficient
QPlogPo/w predicted octanol water partition coefficient
QPlogPoct predicted octanolgass partition coefficient
QPlogPw predicted water gass partition coefficient
Qpolrz predicted polarizability in cubic angstroms
QPPCaco predicted Caco-2 cell permeability in nm/s
QPPMDCK predicted MDCK cell permeability in nm/s
R2 correlation coefficient
Ringatoms number of atoms in a ring
RM0 relative lipophilycity
rtvFG number of reactive functional groups
Rule rule of five
SASA total solvent accessible surface area
S slope
Volume total solvent accessible area in cubic Angstroms
WPSA weakly polar component of the SASA
Φ0 chromatographic hydrophobic index