CPD | 2 | 4 | 7 | 8 | 10 | 17 |
HBD | 0 | 0 | 1 | 0 | 0 | 0 |
HBA | 7 | 5 | 6 | 7 | 6 | 6 |
CLogP | 1.803 | 1.162 | 2.933 | 0.964 | 1.514 | 3.559 |
V | 0 | 0 | 0 | 0 | 0 | 0 |
Vol. | 185 | 176.25 | 181.875 | 201 | 195.875 | 196.25 |
TPSA | 52.82 | 106.53 | 57.53 | 124.35 | 95.53 | 72.55 |
%ABS | 90.7771 | 72.24715 | 89.15215 | 66.09925 | 76.04215 | 83.97025 |
Log S | −3.69206 | −2.42823 | −5.17052 | −3.32469 | −3.07276 | −5.45284 |
HOMO | −9.46936 | −8.95061 | −9.14457 | −9.95624 | −9.57443 | −8.68336 |
LUMO | −1.61311 | −0.77546 | −0.77307 | −1.1573 | −0.92765 | −1.25907 |
mr | 7.856251 | 8.17515 | 8.3715 | 8.79894 | 8.646781 | 7.42429 |
∆E | 3.928125 | 4.087575 | 4.18575 | 4.39947 | 4.32339 | 3.712145 |
η | 0.254574 | 0.244644 | 0.238906 | 0.2273 | 0.2313 | 0.269386 |
S | −5.54124 | −4.86304 | −4.95882 | −5.55677 | −5.25104 | −4.97122 |
χ | 5.541235 | 4.863035 | 4.95882 | 5.55677 | 5.25104 | 4.971215 |
σ | 3.90839 | 2.892804 | 2.937335 | 3.509251 | 3.188866 | 3.328666 |
ω | −9.46936 | −8.95061 | −9.14457 | −9.95624 | −9.57443 | −8.68336 |