Table 5 Analysis of physicochemical properties of drug candidates using the OSIRIS Data Warrior web server.
Compound | Molecular weight | cLogP | Number of H-acceptor | Number of H-donor | Polar surface area (Å2) | Rotatable bonds |
|---|---|---|---|---|---|---|
ZINC01532028 | 381.228 | 3.37 | 8 | 1 | 92.68 | 2 |
ZINC13378516 | 382.28 | 4.7 | 5 | 2 | 75.99 | 1 |
ZINC14824819 | 360.255 | 2.111 | 6 | 2 | 75.99 | 2 |
ZINC95913991 | 370.27 | 4.94 | 5 | 2 | 75.99 | 1 |
ZINC13375652 | 382.28 | 4.51 | 5 | 2 | 75.99 | 4 |
ZINC01619649 | 348.309 | 3.79 | 0 | 6 | 63.22 | 1 |
ZINC14679204 | 307.235 | 4.19 | 4 | 3 | 69.92 | 3 |
ZINC85491556 | 351.24 | 3.84 | 6 | 3 | 88.38 | 3 |
ZINC85510542 | 318.238 | 4.06 | 4 | 2 | 58.92 | 0 |
