A DFT and Semiempirical Model-Based Study of Opioid Receptor Affinity and Selectivity in a Group of Molecules with a Morphine Structural Core

Table 11

Squared correlation coefficients for the variables appearing in (20).

	𝑆^𝑁7	𝑆^𝑁7(LUMO+1)	𝑆^𝐸11(HOMO)	𝑆^𝑁11(LUMO+1)	𝐹16(HOMO−1)
𝑆^𝑁7	1.0
𝑆^𝑁7(LUMO+1)	0.25	1.0
𝑆^𝐸11(HOMO)	0.03	0.06	1.0
𝑆^𝑁11(LUMO+1)	0.0004	0.02	0.05	1.0
𝐹16(HOMO−1)	0.16	0.04	0.008	0.04	1.0