Table 4. Model equations and R2 values for quadratic fits of compound grouping shown in Fig. 7 modelling for log(1/EC50).
Sub group | Equation fit | R 2 |
OBn.NH.alkyl | Y = –4.783 + 2.737 × ALOGPs – 0.2656 × ALOGPs2 | 0.84 |
OBn.NH–Ph.alkyl | Y = –0.2663 + 0.7575 × ALOGPs – 0.06513 × ALOGPs2 | 0.999 |
OMe.NH.alkyl | Y = –0.8097 + 1.509 × ALOGPs – 0.1707 × ALOGPs2 | 0.97 |
OMe.NH–Ph.alkyl | Y = 0.1699 + 1.088 × ALOGPs – 0.1456 × ALOGPs2 | 0.999 |
OMe.NH–Ph.halogen | Y = –6.332 + 4.936 × ALOGPs – 0.7501 × ALOGPs2 | 0.48 |
OMe.NH–Ph.O–R′ | Y = –13.52 + 9.364 × ALOGPs – 1.42 × ALOGPs2 | 0.98 |