Senyawa E_ele E Total Homo Lumo

48 -410747.2384877 -91862.8661979 -11.34975 1.027439

49 -491435.0318754 -102799.5563715 -11.77446 2.628687
50 -533523.098792 -119442.7155921 -11.94457 1.729166
51 -540432.5346784 -121889.4778578 -12.10634 1.541457
52 -724447.7369068 -137593.3567164 -9.567322 2.042412
53 -925300.565176 -154929.1190137 -9.016952 2.603368
Free Energy Log p HF massa DM
-91862.9 1.37 -6912.1210806 223.27 2.185
-102800 1.92 -7958.1410984 251.33 1.695
-119443 0.75 -7639.8804278 267.28 1.41
-121889 3.31 -7515.1541926 268.27 5.184
-137593 1.39 -10242.2635576 329.4 2.735
-154929 0.4 -11226.4025799 359.42 6.044
SA IC 50 log IC 50
392.25 1.61 0.206825876
453.88 3.48 0.5415792439
436.69 12.64 1.1017470739
440.98 3.26 0.5132176001
491.01 7.72 0.8876173003
334.63 3.17 0.5010592622

1
 Massa LUMO
SENYAWA LOGIC50 EKSP (Y) Koefisien
Koef Nilai Koef Nilai
48 0.206825876 0.652 0.004 223.27 -0.358 1.027439
49 0.5415792439 0.871 -0.005 251.33 0.084 2.628687
50 1.1017470739 -0.409 0.004 267.28 0.00 1.729166
51 0.5132176001 -1.108 0.009 268.27 -0.036 1.541457
52 0.8876173003 -0.651 0.007 329.4 -0.139 2.042412
53 0.5010592622 -0.865 0.007 359.42 -0.015 2.603368
 DM
Y' Y-Y' (Y-Y')^2 Y ratarata y-yratata (Y-Yrata)^2 Q2
Koef Nilai
-0.14 2.185 0.871357 -0.664531 0.4416013995 0.625341 -0.418515 0.175155 -3.573973
-0.147 1.695 -0.414005 0.955585 0.9131418053 0.625341 -0.083762 0.007016
-0.074 1.41 0.555123 0.546624 0.2987981724 0.625341 0.476406 0.226963
-0.262 5.184 -0.10727 0.620488 0.3850054228 0.625341 -0.112123 0.012572
-0.169 2.735 0.90869 -0.021072 0.0004440474 0.625341 0.262276 0.068789
-0.097 6.044 1.025621 -0.524562 0.2751655203 0.625341 -0.124282 0.015446
2.3141563676 0.50594