Lead compounds | logPo/Wa | logSb | PCacoc | loghsad | logBB | logKp | % human oral absorptione | Glide score for inhibition of Pf-DHFR (Kcal/mol) |
---|---|---|---|---|---|---|---|---|
13 | 2.421 | − 5.30 | 27.88 | 0.09 | − 3.01 | − 3.93 | 54.03 | − 6.23 |
20 | 3.841 | − 6.17 | 551.04 | 0.58 | − 0.72 | − 3.15 | 100.00 | − 5.41 |
7 | 4.614 | − 6.39 | 184.56 | 0.59 | − 2.30 | − 2.05 | 81.56 | − 5.25 |
15 | 3.333 | − 6.15 | 100.16 | 0.31 | − 2.42 | − 3.06 | 69.31 | − 4.74 |
11 | 2.778 | − 4.19 | 619.07 | 0.05 | − 0.97 | − 2.81 | 93.17 | − 4.64 |
18 | 2.409 | − 3.75 | 37.21 | 0.33 | − 0.36 | − 7.04 | 96.13 | − 4.25 |
Cycloguanil | – | – | – | – | – | – | – | − 4.17 |