Table 5. Tice Pesticide-like Properties of the Compoundsa.
| compound | name | xlogP | H-bond donors (HBD) | H-bond acceptors (HBA) | molecular weight (MW) | rotatable bonds (RB) |
|---|---|---|---|---|---|---|
| ZINC95099639 | 4S-methoxylastourvilline | 2.25 | 2 | 6 | 357.40 | 3 |
| ZINC03812983 | (−)-heroin hydrochloride | 1.1 | 3 | 4 | 286.35 | 0 |
| ZINC70455604 | hydroxy-dimethoxy-methyl-BLAHone | 0.57 | 2 | 5 | 328.38 | 2 |
| ZINC95099641 | 10-O-demethylcassythicine | 4.26 | 3 | 5 | 312.34 | 0 |
| ZINC95098859 | morphine | 1.1 | 3 | 4 | 286.35 | 0 |
| ZINC32273181 | mecambroline | 3 | 2 | 4 | 296.34 | 0 |
a
Tice pesticide-likeliness property: molecular weight = 150–500, hydrogen bond donor = ≤2, hydrogen bond acceptor = 1–8, rotatable bonds = <12.40