Table 1.
E | Eaq | Esol | MW | EH | EL | EH − EL | D | ACPK | PSA | VCPK | OCPK | AA | PA | q− | APA | qion− | q+ | LogP | P | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E | 1.00 | |||||||||||||||||||
Eaq | 0.99 | 1.00 | ||||||||||||||||||
Esol | 0.56 | 0.64 | 1.00 | |||||||||||||||||
MW | −0.77 | −0.81 | −0.73 | 1.00 | ||||||||||||||||
EH | 0.48 | 0.43 | −0.01 | −0.06 | 1.00 | |||||||||||||||
EL | 0.68 | 0.68 | 0.43 | −0.47 | 0.46 | 1.00 | ||||||||||||||
EH − EL | −0.26 | −0.29 | −0.26 | 0.33 | 0.22 | −0.61 | 1.00 | |||||||||||||
D | −0.14 | −0.17 | −0.54 | 0.41 | 0.23 | −0.13 | 0.18 | 1.00 | ||||||||||||
ACPK | −0.62 | −0.66 | −0.63 | 0.95 | 0.11 | −0.29 | 0.34 | 0.39 | 1.00 | |||||||||||
PSA | −0.70 | −0.75 | −0.86 | 0.82 | −0.16 | −0.48 | 0.25 | 0.42 | 0.71 | 1.00 | ||||||||||
VCPK | −0.62 | −0.66 | −0.63 | 0.95 | 0.11 | −0.30 | 0.34 | 0.39 | 1.00 | 0.70 | 1.00 | |||||||||
OCPK | −0.58 | −0.62 | −0.61 | 0.92 | 0.11 | −0.25 | 0.31 | 0.34 | 0.98 | 0.71 | 0.97 | 1.00 | ||||||||
AA | −0.50 | −0.54 | −0.55 | 0.88 | 0.22 | −0.23 | 0.40 | 0.37 | 0.97 | 0.61 | 0.97 | 0.95 | 1.00 | |||||||
PA | −0.69 | −0.74 | −0.81 | 0.87 | −0.15 | −0.50 | 0.28 | 0.49 | 0.80 | 0.83 | 0.80 | 0.77 | 0.71 | 1.00 | ||||||
q− | −0.49 | −0.46 | −0.04 | 0.16 | −0.76 | −0.54 | 0.02 | −0.25 | 0.00 | 0.17 | 0.01 | −0.03 | −0.07 | 0.19 | 1.00 | |||||
APA | −0.66 | −0.71 | −0.79 | 0.81 | −0.19 | −0.55 | 0.34 | 0.49 | 0.73 | 0.80 | 0.73 | 0.69 | 0.66 | 0.97 | 0.28 | 1.00 | ||||
qion− | −0.23 | −0.21 | 0.04 | 0.14 | −0.27 | −0.17 | 0.16 | −0.09 | 0.18 | 0.12 | 0.17 | 0.15 | 0.19 | 0.10 | 0.19 | 0.16 | 1.00 | |||
q+ | −0.59 | −0.60 | −0.49 | 0.42 | −0.28 | −0.84 | 0.50 | 0.13 | 0.25 | 0.47 | 0.25 | 0.21 | 0.19 | 0.41 | 0.47 | 0.45 | −0.05 | 1.00 | ||
LogP | 0.12 | 0.19 | 0.74 | −0.42 | −0.19 | 0.05 | 0.03 | −0.62 | −0.36 | −0.65 | −0.36 | −0.40 | −0.32 | −0.53 | 0.28 | −0.48 | 0.32 | −0.18 | 1.00 | |
P | −0.62 | −0.66 | −0.63 | 0.95 | 0.12 | −0.32 | 0.39 | 0.39 | 0.99 | 0.70 | 1.00 | 0.96 | 0.97 | 0.79 | 0.02 | 0.73 | 0.17 | 0.27 | −0.34 | 1.00 |
Descriptors showing high correlation coefficient (>0.7) were subjected to removal. Both the removed descriptors and high correlation coefficient (>0.7) were bolded.