Advances in Physical Chemistry / 2016 / Article / Tab 3 / Research Article
Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis Table 3 The absolute values of correlation coefficients with descriptors and activities.
Descriptors Promastigotes Henry’s law constant ( ) 0.130 Ideal gas thermal capacity (IGTC) 0.108 Number of H-Bond acceptors (NHA) 0.299 Number of H-Bond donors (NHD) 0.250 Balaban index ( ) 0.133 Shape coefficient ( ) 0.135 Total valence connectivity (TVC) 0.292 N% 0.238 H% 0.260 Gibbs free energy ( ) 0.119 Dipole moment ( ) 0.213 Electronegativity ( ) 0.599 Electrophilicity index ( ) 0.630 Molecular topological index (MTI) 0.116 Polar surface area (PSA) 0.282 Total connectivity (TC) 0.269 Wiener index ( ) 0.124 0.554 0.632 0.227 Amastigotes Total energy, 0.160 0.286 Electronegativity ( ) 0.316 Polar surface area (PSA) 0.391 O% 0.105 Index of refraction ( ) 0.548 Density ( ) 0.242 Critical pressure (CP) 0.176 Gibbs free energy ( ) 0.195 Henry’s law constant ( ) 0.387 Number of H-Bond acceptors (NHA) 0.198 Number of H-Bond donors (NHD) 0.587 Number of rotatable bonds (NRB) 0.139 Sum of valence degrees (SVD) 0.146 Dipole moment ( ) 0.224 0.338 Electrophilicity index ( ) 0.335 N% 0.436 C% 0.155 Surface tension ( ) 0.553 Boiling point (TB) 0.254 Critical temperature (CT) 0.276 Heat of formation ( ) 0.152 0.248 Melting point ( ) 0.314 Partition coefficient (PC) 0.163 Shape coefficient ( ) 0.176 Winner index ( ) 0.103