Table 5.
ADME molecular descriptors of compounds designed to inhibit Termolysin.
| Ligand | MW (g/mol) | LogP | HBA | HBD | TPSA | RB |
|---|---|---|---|---|---|---|
| Lig-783 | 272.38 | 3.40 | 2 | 2 | 40,46 | 0 |
| Lig-1022 | 450.70 | 8.31 | 2 | 0 | 34.14 | 14 |
| Lig-1392 | 375.47 | 2,60 | 3 | 3 | 74.35 | 5 |
| Lig-2177 | 480.58 | 3.17 | 5 | 2 | 114.67 | 0 |
| Lig-3444 | 356.17 | 2.62 | 3 | 3 | 73.72 | 0 |
| Lig-6199 | 510.62 | 3.49 | 7 | 1 | 88.54 | 13 |
MW: Molecular weight; LogP: Octanol/water partition coefficient; HBA: Hydrogen bond acceptor; HBD: Hydrogen bond donor; TPSA: Topological polar surface area; RB: Rotatable bond count.