Table 1.
Number | Class | AlogP | MW | Number of Aromatic Rings |
Hydrogen Bond Acceptors |
Hydrogen Bond Donors |
Number of rings | Rotatable Bonds |
FPSA |
---|---|---|---|---|---|---|---|---|---|
18241 | inactive | 3.80 ± 0.01 | 378.59 ± 1.02 | 2.62 ± 0.008 | 4.51 ± 0.02 | 1.10 ± 0.009 | 3.48 ± 0.01 | 5.35 ± 0.04 | 0.23 ± 0.00072 |
645 | active | 3.50 ± 0.074 | 427.54 ± 5.43 | 2.10 ± 0.044 | 6.04 ± 0.10 | 1.43 ± 0.05 | 3.39 ± 0.05 | 6.75 ± 0.19 | 0.25 ± 0.0038 |
2 tailed T test p value | <.0001 | <.0001 | <.0001 | <.0001 | <.0001 | 0.09 | <.0001 | <.0001 |