Table 5. Prediction of Drug-Likeness Properties of Benzylidenemalononitrile and Ethyl 2-Cyano-3-phenylacrylate Derivatives (1–6) via Molinspiration Softwarea.
| ligand | GPCR | ICM | KI | NRL | PI | EI |
|---|---|---|---|---|---|---|
| 1 | –0.32 | –0.35 | –0.36 | –0.15 | –0.43 | –0.22 |
| 2 | –0.21 | –0.32 | –0.25 | –0.05 | –0.30 | –0.19 |
| 3 | –0.15 | –0.29 | –0.19 | –0.00 | –0.21 | –0.17 |
| 4 | –0.37 | –0.36 | –0.53 | –0.06 | –0.35 | –0.19 |
| 5 | –0.32 | –0.33 | –0.47 | –0.03 | –0.28 | –0.17 |
| 6 | –0.29 | –0.31 | –0.43 | –0.03 | –0.24 | –0.16 |
| AG9 | –0.94 | –0.65 | –0.85 | –0.88 | –1.12 | –0.66 |
| A23 | –0.81 | –0.47 | –0.74 | –0.66 | –1.03 | –0.48 |
a
Physicochemical parameters of drug-likeness property data for benzylidenemalononitrile derivatives (1–6) defined in Figures S34–S40 in the SI.