Table 2.
Predicted properties under Lipinski’s rule of five and Veber’s rule of selected pyrazole compounds.
Compounds | Lipinski Rule of 5 | Veber’s Rule | ||||||
---|---|---|---|---|---|---|---|---|
MW | LogP | HBA | HBD | Lipinski’s Rule Violations | NRB | Surface Area | Vebers’ Violations | |
M33 | 308.316 | 2.5248 | 4 | 4 | Suitable | 1 | 131.811 | Suitable |
M36 | 366.424 | 3.8042 | 5 | 4 | Suitable | 1 | 162.702 | Suitable |
M72 | 380.864 | 3.6995 | 4 | 7 | Suitable | 1 | 159.911 | Suitable |
M74 | 441.314 | 3.5142 | 4 | 8 | Suitable | 2 | 168.269 | Suitable |
M76 | 360.446 | 3.35452 | 4 | 7 | Suitable | 1 | 155.973 | Suitable |
MW = molecular weight; LogP = lipophilicity; HBA = hydrogen bond acceptor; HBD = hydrogen bond donor; NRB = number of rotatable bonds.