TABLE 1.
Ligand no. | Molecular weight | Number of rotatable bonds | Hydrogen bond acceptor | Hydrogen bond donor | Topological polar surface area Å2 | Consensus Log p o/w | Lipinski rule | Bioavailability score | |
---|---|---|---|---|---|---|---|---|---|
Result | Violation | ||||||||
Ligand 01 | 245.23 | 2 | 5 | 1 | 64.72 | 2.24 | Yes | 0 | 0.55 |
Ligand 02 | 321.33 | 4 | 5 | 1 | 64.72 | 3.49 | Yes | 0 | 0.55 |
Ligand 03 | 369.37 | 4 | 5 | 1 | 64.72 | 4.66 | Yes | 0 | 0.55 |
Ligand 04 | 275.21 | 3 | 7 | 2 | 102.02 | 1.78 | Yes | 0 | 0.56 |
Ligand 05 | 305.2 | 4 | 9 | 3 | 139.32 | 1.33 | Yes | 0 | 0.56 |
Ligand 06 | 259.21 | 3 | 6 | 1 | 81.79 | 1.92 | Yes | 0 | 0.55 |
Ligand 07 | 273.2 | 4 | 7 | 1 | 98.86 | 1.57 | Yes | 0 | 0.55 |
Ligand 08 | 249.19 | 2 | 6 | 1 | 64.72 | 2.41 | Yes | 0 | 0.55 |
Ligand 09 | 253.16 | 2 | 7 | 1 | 64.72 | 2.55 | Yes | 0 | 0.55 |