Table 3.
In silico evaluated physicochemical properties of flubendazole (FLU), parbendazole (PAR), oxibendazole (OXI), mebendazole (MEB), albendazole (ALB) and fenbendazole (FEN).
| Physicochemical Properties | FLU | PAR | OXI | MEB | ALB | FEN |
|---|---|---|---|---|---|---|
| Molecular Weight (MW) | 313.28 | 247.29 | 249.27 | 295.29 | 265.33 | 299.35 |
| H-Bond Acceptors (HBA) | 5 | 3 | 4 | 4 | 3 | 3 |
| H-Bond Donators (HBD) | 2 | 2 | 2 | 2 | 2 | 2 |
| Consensus Log P * | 2.56 | 2.52 | 1.85 | 2.26 | 2.29 | 2.91 |
| Lipinski Violations | 0 | 0 | 0 | 0 | 0 | 0 |
| GI Absorption | High | High | High | High | High | High |
| P-gp Substrate | No | No | No | No | No | No |
| PAINS Alerts | 0 | 0 | 0 | 0 | 0 | 0 |
* Arithmetic means of the values predicted by five in silico methods: XLOGP3, WLOGP, MLOGP, SILICOS-IT and iLOGP. Parameters range required to satisfy the Lipinski’s rule of five: MW < 500 g/mol, HBD < 5, HBA < 10, log P < 5.