AM1_Eele momenDipol AM1_HOMO AM1_LUMO AM1_Etot

H 0.08217028 7.7028 -0.34525 -0.05277 166.441

Cl 0.07171719 6.668 -0.34672 -0.05474 161.340
Br 0.09119532 6.51412 -0.34822 -0.05516 161.031
I 0.10937927 6.532 -0.34906 -0.05516 160.983
CF3 -0.16401896 5.2124 -0.3577 -0.05802 172.663
CH3 0.06957176 8.1047 -0.34089 -0.05211 184.364
C2H5 0.06099635 8.1788 -0.34028 -0.05195 203.265
C3H7 0.04955186 7.3327 -0.34169 -0.05023 222.717
OCH3 0.02064534 7.6247 -0.33519 -0.05217 188.985
OC2H5 0.0114989 7.9223 -0.33399 -0.05182 207.609
OC3H7 0.0006039 7.9795 -0.3339 -0.05177 226.485
Oc4h9 -0.01024344 8.0168 -0.33386 -0.05176 245.363
NO2 0.09165604 4.7711 -0.36307 -0.06937 170.901
CN 0.13454658 5.3121 -0.35409 -0.05734 167.352
COOCH3 0.02481052 5.0115 -0.35143 -0.05598 192.797
Entropi entalpi logS Log_p HF(Kj/mol) CMA MR (cm
152.404 0.348356 -4.51955 3.912 80.87 274.357 80.20
158.928 0.329773 -5.21423 4.47 53.66 289.083 85.003
161.962 0.348759 -5.33687 4.74 95.73 294.625 87.821
163.904 0.366866 -5.61606 5.269 146.27 300.13 92.607
173.856 0.112082 -5.5341 4.833 -548.32 303.058 86.172
184.364 0.364319 -4.88292 4.399 48.76 292.072 85.24
162.529 0.385864 -5.24399 4.816 28.12 309.973 89.841
174.598 0.405419 -5.66319 5.233 7.48 325.056 94.442
165.263 0.322756 -4.59076 3.785 -83.46 299.814 86.662
174.039 0.34329 -4.93177 4.123 -104.1 319.941 91.41
182.150 0.362475 -5.19971 4.609 -124.74 338.673 95.934
190.143 0.381712 -5.6185 5.027 -145.38 358.371 100.535
166.416 0.364948 -4.91299 3.945 58.64 295.973 87.523
160.699 0.402183 -4.58896 3.945 213.64 289.891 85.936
173.164 0.332996 -4.66636 3.224 -84.46 310.263 90.601
log IC logIC50
10.24 1.0103
10.85 1.03543
10.16 1.006894
12.1 1.082785
14.25 1.153815
11.47 1.059563
10.74 1.031004
9.9 0.995635
10.67 1.028164
26.64 1.425534
12.2 1.08636
11.47 1.059563
9.85 0.993436
8.19 0.913284
7.91 0.898176
Parameter Nilai Syarat Memenuhi/tidak memenuhi syarat
r 0.710 mendekati 1 Memenuhi syarat (Kuat)
r2 0.504
Derajat Kebebasan 6
F Hitung 1.335
F Tabel 3.58058
Fhitung/Ftabel 0.372845

df tania 8
fhitung 2.527
F tabel 19.37099
Fhitung/Ftabel
senyawa ENTALPI LUMO HOMO MOMEN DIPOL LOG IC50 EXP
H 0.348356 -0.05277 -0.34525 7.7028 1.0102999566
Cl 0.329773 -0.05474 -0.34672 6.668 1.0354297382
Br 0.348759 -0.05516 -0.34822 6.51412 1.0068937079

CF3 0.112082 -0.05802 -0.3577 5.2124 1.1538148643

CH3 0.364319 -0.05211 -0.34089 8.1047 1.0595634179
C2H5 0.385864 -0.05195 -0.34028 8.1788 1.0310042814
C3H7 0.405419 -0.05023 -0.34169 7.3327 0.9956351946

OC3H7 0.362475 -0.05177 -0.3339 7.9795 1.0863598307

Oc4h9 0.381712 -0.05176 -0.33386 8.0168 1.0595634179
NO2 0.364948 -0.06937 -0.36307 4.7711 0.9934362305
CN 0.402183 -0.05734 -0.35409 5.3121 0.9132839018
COOCH3 0.332996 -0.05598 -0.35143 5.0115 0.8981764835

18.242
4.12031173

FTABEL/FHITUNG 4.427335
LOG IC PREDIKSI
1.03612418 10.24
1.041328315 10.85
1.009173145 10.16

1.14166079 14.25
1.076334565 11.47
1.06173257 10.74
0.973985185 9.9 Chart Title
1.2
f(x) = 1.0207645838x - 0.00495774
1
1.137051495 12.2 R = 0.860015447
1.12003634 11.47 0.8
0.99779122 9.85 0.6
Axis Title
0.890433535 8.19 0.4
0.95254717 7.91
0.2
0
0.85 0.9 0.95 1 1.05 1.1 1.15

Axis Title
 Chart Title

= 1.0207645838x - 0.0049577407
0.860015447

Column G
Linear (Column G)

.95 1 1.05 1.1 1.15 1.2

Axis Title
 Momen Dipol HOMO
Senyawa Log IC50 ( Y ) Konstanta
koef nilai koef nilai
1 1.0102999566 0.982 0.060 7.7028 1.592 -0.34525
2 1.0354297382 1.808 0.047 6.668 3.942 -0.34672
3 1.0068937079 1.833 0.047 6.51412 4.013 -0.34822
5 1.1538148643 1.788 0.045 5.2124 4.439 -0.3577
6 1.0595634179 1.658 0.05 8.1047 3.545 -0.34089
7 1.0310042814 1.658 0.05 8.1788 3.545 -0.34028
8 0.9956351946 2.01 0.048 7.3327 4.801 -0.34169
11 1.0863598307 1.502 0.049 7.9795 2.992 -0.3339
12 1.0595634179 1.911 0.046 8.0168 4.241 -0.33386
13 0.9934362305 1.926 0.044 4.7711 3.792 -0.36307
14 0.9132839018 1.915 0.051 5.3121 4.436 -0.35409
15 0.8981764835 2.867 0.019 5.0115 6.128 -0.35143
JUMLAH

10.24
10.85
10.16
14.25
11.47
10.74
9.9
12.2
11.47
9.85
8.19
7.91
 LUMO ENTALPI
(Y-Y') Y Rata
koef nilai koef nilai Y' Y-Y'
-8.981 -0.05277 -0.877 0.348356 1.062949 -0.052649 0.002772
-10.294 -0.05474 -0.887 0.329773 1.025611 0.009819 9.64E-005
-10.344 -0.05516 -0.891 0.348759 1.001588 0.005306 2.82E-005
-10.842 -0.05802 -0.181 0.112082 1.043494 0.110321 0.012171
-10.155 -0.05211 -0.883 0.364319 1.062263 -0.0027 7.29E-006
-10.155 -0.05195 -0.883 0.385864 1.047482 -0.016477 0.000272
-12.295 -0.05023 -0.95 0.405419 0.953946 0.041689 0.001738
-9.519 -0.05177 -0.873 0.362475 1.070325 0.016035 0.000257
-10.479 -0.05176 -0.892 0.381712 1.065778 -0.006215 3.86E-005
-7.695 -0.06937 -0.907 0.364948 0.961961 0.031475 0.000991
-11.371 -0.05734 -0.951 0.402183 0.884711 0.028573 0.000816
-8.18 -0.05598 -0.851 0.332996 0.983192 -0.085016 0.007228 1.020288
0.026415
 y-y rata (y-y rata) q

-0.009988 9.97694E-005
0.015141 0.0002292596
-0.013395 0.0001794183
0.133526 0.0178293117
0.039275 0.0015425256
0.010716 0.0001148297
-0.024653 0.0006077815
0.066071 0.0043654315
0.039275 0.0015425256
-0.026852 0.00072104
-0.107005 0.0114499667
-0.122112 0.0149113247 0.507128
0.053593184
SENYAWA MOMEN DIPOL ENTALPI HOMO LUMO
N(CH3)2 7.4546 0.33838 -0.3436 -0.05303 1.065737
chcl2 5.7729 0.333488 -0.35079 -0.05558 0.979056
ch2c6h5 7.1861 0.384226 -0.3415 -0.05015 0.989979
CH2SCH3 6.4876 0.401369 -0.32449 -0.05358 1.166131
CH2CF3 5.1921 0.125182 -0.35017 -0.05569 1.167435
COOH 4.8333 0.235329 -0.35815 -0.05887 1.017648