Fig. 11.
Physical-chemical parameters for compound 41 (intersects of the blue line) over the drug-like filter area for a lead compound (blue space). Abbreviations clockwise from top are as follows: HBA, number of hydrogen bond acceptors; tPSA, topological polar surface area; ratioH_C, ratio of hydrogen atoms to carbon atoms; n_hetero, total number of heteroatoms; n_carbon, total number of carbon atoms; n_SystemRing, smallest number of rings; logP, the logarithm of the partition coefficient between water and n-octanol; TotalCharge, formal charge of the compound; RotatableBonds, number of single nonring bonds; RigidBonds, number of nonflexible bonds; NumCharges, number of charged groups; SizeSystemRing, number of atoms in the largest ring; MW, molecular weight; and HBD, number of hydrogen bond donors.