Table 3.
Physiochemical parameters of ligand molecules screened for Lipinski’s rule.
| Ligand | Molecular Weight (Da) | Hydrogen Bond Donor | Hydrogen Bond Acceptor | LogP | Molar Refractivity | Rules Satisfied |
|---|---|---|---|---|---|---|
| CVRACGAD | 791.9 | 13 | 13 | −4.7 | 206.6 | 1/5 |
| Cilengitide | 588.6 | 7 | 8 | −1.4 | 170.9 | 2/5 |
| RPRTSSF | 875.0 | 15 | 12 | −5.9 | 236.7 | 0/5 |
| FWCS | 541.6 | 8 | 7 | −0.7 | 143.2 | 2/5 |
| YSV | 367.4 | 6 | 6 | −1.0 | 93.14 | 4/5 |
| CTTHWGFTLC | 1166.3 | 16 | 17 | −4.0 | 331.1 | 1/5 |
| CRRHWGFEFC | 1338.5 | 20 | 17 | −3.6 | 381.6 | 1/5 |
| RGDS | 433.4 | 10 | 8 | −4.7 | 99.7 | 4/5 |
| CKVILTHRC | 1070.3 | 16 | 16 | −3.3 | 306.4 | 1/5 |
| AYACNTSTL | 943.0 | 16 | 16 | −6.1 | 230.0 | 0/5 |
| Cyclosaplin | 858.9 | 17 | 13 | −6.5 | 243.0 | 0/5 |