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. 2025 Nov 5;30(21):4306. doi: 10.3390/molecules30214306
MW Molecular Weight
#heavy atoms Number of Heavy Atoms
#arom. heavy atoms Number of Aromatic Heavy Atoms
#rotatable bonds Number of Rotatable Bonds
#H-bond acceptors Number of Hydrogen Bond Acceptors
#H-bond donors Number of Hydrogen Bond Donors
MR Molecular Refractivity
TPSA Topological Polar Surface Area
Log Po/w (iLOGP) Octanol/Water Partition Coefficient (iLOGP method [115])
Log Po/w (XLOGP3) Octanol/Water Partition Coefficient (XLOGP3 method [116])
Log Po/w (WLOGP) Octanol/Water Partition Coefficient (WLOGP method [117])
Log Po/w (MLOGP) Octanol/Water Partition Coefficient (MLOGP method [118])
Log Po/w (SILICOS-IT) Octanol/Water Partition Coefficient (SILICOS-IT method [119])
Consensus Log Po/w Consensus Octanol/Water Partition Coefficient
Log S (ESOL) Predicted Aqueous Solubility (ESOL method [77])
Log S (Ali) Predicted Aqueous Solubility (Ali method [120])
Log S (SILICOS-IT) Predicted Aqueous Solubility (SILICOS-IT method [121])
IG absorption Gastrointestinal Absorption
BBB permeant Blood–Brain Barrier Permeability