Table 2 Lipinski’s rule of five properties of bioactive compounds
S/N | CID | MW (g/mol) (≤ 500) | H Bond Acceptors (≤ 10.6) | H Bond Donors (≤ 5) | TPSA (A2) (< 40) | iLOGP (≤ 5) | Lipinski violations |
|---|---|---|---|---|---|---|---|
1 | N,N-Diethylurea | 116.16 | 1 | 1 | 46.33 | 1.42 | 0 |
2 | 1,3- Cyclohexanediol | 116.16 | 2 | 2 | 40.46 | 1.48 | 0 |
3 | 6-Methyl-2-heptyne | 110.20 | 0 | 0 | 0.00 | 2.62 | 0 |
4 | N- Acetylethylenediamine | 102.14 | 2 | 2 | 22.15 | 0.95 | 0 |
5 | Cyclopropanecarboxamide | 85.10 | 1 | 1 | 43.09 | 0.89 | 0 |
6 | N-Acetyl-L-methionine | 191.25 | 3 | 2 | 91.70 | 1.03 | 0 |
7 | Succinic acid | 118.09 | 3 | 4 | 74.60 | 0.32 | 0 |
8 | Thrimethoprim | 380.42 | 6 | 2 | 130.47 | 2.07 | 0 |