Table 6.
Compounds | PAINS alerts | Brenk alerts | Leadlikeness violations | Synthetic Accessibility |
---|---|---|---|---|
Buddlenol-A | 0 | 2: aldehyde, michael_acceptor_1 | 2: MW > 350, Rotors>7 |
5.56 |
Citrusin-B | 0 | 0 | 2: MW > 350, Rotors>7 |
5.98 |
9-hydroxycanthin-6-one | 0 | 0 | 1: MW < 250 |
2.02 |
Bruceolline-B | 0 | 0 | 1: MW > 350 |
5.92 |
Prosopine | 0 | 0 | 2: Rotors>7, XLOGP3>3.5 |
3.84 |
Fisetinidol | 1: catechol_A | 1: catechol | 0 | 3.44 |
Picrasidine-X | 0 | 0 | 0 | 2.44 |