Table 5.
Compounds | Molecular weight | Log S | TPSA | Log P(o/w) | VSA |
---|---|---|---|---|---|
4 | 499 | −10.46 | 35.53 | 8.41 | 523.7 |
11 | 515 | −9.74 | 55.76 | 7.34 | 533.3 |
15 | 429 | −10.53 | 34.14 | 7.17 | 500.4 |
CP-55,940 | 377 | −6.67 | 60.69 | 6.34 | 461.2 |
Different molecular descriptors were calculated including their molecular weight, solubility, polar surface area, partition coefficient, and Van Der Waals surface area