Compound code | Mol. wt. | Mol. Vol. | H bond donor | H bond acceptor | Log Po/w | Log S | Log BB | Human oral absorption (%) |
---|---|---|---|---|---|---|---|---|
5a | 326.39 | 1099.45 | 1 | 5 | 3.12 | −3.62 | 0.19 | 98.23 |
5b | 340.42 | 1135.79 | 1 | 5 | 3.3 | −3.75 | 0.23 | 97.35 |
5c | 340.42 | 1160.54 | 1 | 5 | 3.4 | −4.21 | 0.17 | 96.65 |
5d | 340.42 | 1160.72 | 1 | 5 | 3.43 | −4.21 | 0.17 | 97.78 |
5e | 356.42 | 1174.76 | 1 | 6 | 3.21 | −3.83 | 0.11 | 97.21 |
5f | 356.42 | 1175.85 | 1 | 6 | 3.21 | −3.85 | 0.11 | 95.16 |
5g | 344.38 | 1116.84 | 1 | 5 | 3.36 | −4.01 | 0.30 | 96.45 |
5h | 360.83 | 1137.53 | 1 | 5 | 3.59 | −4.18 | 0.40 | 97.32 |
5i | 360.83 | 1144.61 | 1 | 5 | 3.62 | −4.36 | 0.37 | 96.15 |
5j | 360.83 | 1144.83 | 1 | 5 | 3.62 | −4.38 | 0.35 | 95.68 |
5k | 371.39 | 1173.43 | 2 | 6 | 2.40 | −3.78 | −0.91 | 78.41 |
5l | 394.39 | 1199.11 | 1 | 5 | 4.11 | −5.08 | 0.45 | 94.32 |
5m | 354.44 | 1187.59 | 1 | 5 | 3.66 | −4.14 | 0.30 | 95.41 |
5n | 354.44 | 1211.12 | 1 | 5 | 3.70 | −4.62 | 0.17 | 97.16 |
5o | 374.86 | 1194.24 | 1 | 5 | 3.92 | −4.63 | 0.44 | 98.24 |
8a | 356.42 | 1171.02 | 1 | 6 | 3.27 | −4.02 | −0.33 | 95.55 |
8b | 356.42 | 1169.84 | 1 | 6 | 3.22 | −4.13 | −0.38 | 96.36 |
8c | 356.42 | 1170.15 | 1 | 6 | 3.22 | −4.14 | −0.38 | 94.64 |
8d | 344.38 | 1111.12 | 1 | 5 | 3.37 | −4.29 | −0.20 | 97.80 |
8e | 344.38 | 1111.09 | 1 | 5 | 3.37 | −4.29 | −0.20 | 96.45 |
8f | 360.83 | 1130.02 | 1 | 5 | 3.53 | −4.51 | −0.16 | 98.12 |
8g | 360.83 | 1139.08 | 1 | 5 | 3.62 | −4.66 | −0.14 | 97.86 |
8h | 360.83 | 1139.13 | 1 | 5 | 3.62 | −4.66 | −0.14 | 98.64 |
8i | 405.29 | 1137.62 | 1 | 5 | 3.60 | −4.61 | −0.14 | 99.16 |
8j | 405.29 | 1147.99 | 1 | 5 | 3.70 | −4.77 | −0.13 | 98.20 |
8k | 405.29 | 1148.04 | 1 | 5 | 3.70 | −4.77 | −0.13 | 97.56 |
8l | 351.40 | 1160.41 | 1 | 6 | 2.37 | −4.87 | −1.14 | 86.13 |
8m | 368.43 | 1216.51 | 1 | 6 | 2.60 | −4.12 | −0.95 | 90.86 |
8n | 394.39 | 1193.18 | 1 | 5 | 4.11 | −5.36 | −0.04 | 98.54 |
8o | 354.44 | 1209.19 | 1 | 5 | 3.80 | −5.05 | −0.22 | 99.22 |
Efavirenz | 315.67 | 880.03 | 1 | 3 | 3.52 | −4.86 | 0.10 | 94 |