Table 4.
Compounds | Lipinski's rules |
Lipinski's violations |
||||
---|---|---|---|---|---|---|
MW |
HBA |
HBD |
Log P |
MR |
||
<500 | <10 | ≤5 | ≤5 | 40–130 | ≤1 | |
Beta-amyrine | 426.72 | 1 | 1 | 7.18 | 134.88 | 2 |
Ursolic acid | 456.70 | 3 | 2 | 5.94 | 136.91 | 2 |
Betulinic acid | 456.70 | 3 | 2 | 6.11 | 136.91 | 2 |
Chrysoeriol | 300.26 | 6 | 3 | 2.18 | 80..48 | 0 |
Quercetin | 302.24 | 7 | 5 | 1.23 | 78.03 | 0 |
Friedelan-3-one | 426.72 | 1 | 0 | 7.45 | 134.39 | 2 |
Beta-sitosterol | 414.71 | 1 | 1 | 7.19 | 133.23 | 2 |
Fisetin | 286.24 | 6 | 4 | 1.55 | 76.01 | 0 |
Cynaroside | 448.38 | 11 | 7 | 0.16 | 108.13 | 2 |
Triacontane | 422.81 | 0 | 0 | 11.51 | 146.32 | 1 |
MW, Molecular weight (g/mol); HBA, Hydrogen bond acceptor; HBD, Hydrogen bond donor; Log P, Lipophilicity; MR, Molar refractivity.