Table 7.
Descriptor | Rules for 1:1 | Rules for 1.2:1 |
---|---|---|
a_nH | >167 | >172 |
a_nC | >110 | >111.5 |
a_acc | ≤30 | ≤33 |
b_rotN | >105.0 | >100.5 |
b_rotR | >0.62 | >0.63 |
density | >0.71 | >0.71 |
logP(o/w) | >5.20 | >6.95 |
SlogP | >4.62 | >6.62 |
mr | >56.98 | >55.93 |
vdw_vol | ≤28.93 | ≤28.42 |