εHOMO | εLUMO | η | S | X | GAP | dipole | ω | AGS | |
εHOMO | 1 | ||||||||
εLUMO | 0.93 | 1 | |||||||
Ƞ | 0.57 | 0.81 | 1 | ||||||
S | 0.12 | 0.30 | 0.65 | 1 | |||||
X | 0.97 | 0.98 | 0.72 | 0.22 | 1 | ||||
GAP | 0.57 | 0.81 | 1 | 0.65 | 0.72 | 1 | |||
dipo | 0.27 | 0.44 | 0.66 | 0.22 | 0.37 | 0.66 | 1 | ||
ω | 0.64 | 0.85 | 0.98 | 0.54 | 0.77 | 0.98 | 0.72 | 1 | |
IC50 | 0.60 | 0.75 | 0.78 | 0.21 | 0.70 | 0.78 | 0.88 | 0.86 | 1 |