Senyawa AM1-Etotal AM1-Eele AM1-HOMO

1 166.447 0.08803042 -0.34544

2 161.341 0.0775007 -0.04658
3 161.033 0.09697313 -0.34815
4 160.985 0.11515918 -0.34912
5 172.661 -0.15834563 -0.35873
6 184.372 0.07545235 -0.34049
7 203.274 0.06687767 -0.33984
8 222.766 0.05657687 -0.34069
9 188.993 0.02643899 -0.33415
10 207.618 0.01750092 -0.33289
11 226.544 0.00642008 -0.33251
12 245.372 -0.00423934 -0.33275
13 170.895 0.09722492 -0.36435
14 167.350 0.14022789 -0.35464
15 196.851 -0.03161671 -0.35704

4.1468041623
AM1-LUMO Entropi Log-P HF MR
-0.05957 150.249 3.912 80.87 80.199
-0.06161 157.105 4.470 53.66 85.003
-0.06207 160.119 4.740 95.73 87.821
-0.06209 162.077 5.269 146.27 92.607
-0.065 172.230 4.833 -548.32 86.172
-0.05892 155.104 4.399 48.76 85.24
-0.05875 160.090 4.816 28.12 89.841
-0.0589 175.745 5.233 7.48 94.442
-0.0585 163.406 3.785 -83.46 86.662
-0.05854 172.187 4.123 -104.1 91.41
-0.05816 179.172 4.609 -124.74 95.934
-0.05849 188.264 5.027 -145.38 100.535
-0.06806 164.975 3.945 58.64 87.523
0.35464 159.054 3.945 213.64 85.936
-0.06416 176.309 3.732 -289.16 91.726

0.1864087971
Momen Dipol Log-S Entalpi Connoly Molecular Area
5.6455 -4.51955 0.354225 270.672
5.3194 -5.21423 0.335559 285.309
5.2913 -5.33687 0.354541 290.839
5.2910 -5.61606 0.372649 296.344
5.6153 -5.53410 0.117752 299.083
5.8358 -4.88292 0.370213 288.336
5.8623 -5.24399 0.391759 306.341
5.7247 -5.66319 0.412521 323.350
5.4288 -4.59076 0.328563 297.273
6.6347 -4.93177 0.349305 317.361
5.3423 -5.19971 0.368386 333.094
6.6829 -5.61850 0.387730 354.637
6.6583 -4.91299 0.370508 291.985
5.5560 -4.58896 0.407861 285.928
7.8085 -4.78884 0.283030 315.405
 Log IC50
1.0102999566
1.0354297382
1.0068937079
1.0827853703
1.1538148643
1.0595634179
1.0310042814
0.9956351946
1.0281644194
1.4255342205
1.0863598307
1.0595634179
0.9934362305
0.9132839018
0.8981764835
senyawa momen dipol entalpi etotal mr hf logIC50 exp
1 5.6455 0.354225 166.447 80.199 80.87 1.0102999566
2 5.3194 0.335559 161.341 85.003 53.66 1.0354297382

4 5.2910 0.372649 160.985 92.607 146.27 1.0827853703

6 5.8358 0.370213 184.372 85.24 48.76 1.0595634179

7 5.8623 0.391759 203.274 89.841 28.12 1.0310042814

9 5.4288 0.328563 188.993 86.662 -83.46 1.0281644194

10 6.6347 0.349305 207.618 91.41 -104.1 1.4255342205
11 5.3423 0.368386 226.544 95.934 -124.74 1.0863598307

14 5.5560 0.407861 167.350 85.936 213.64 0.9132839018

15 7.8085 0.283030 196.851 91.726 -289.16 0.8981764835

2.2817888545
logIC50 prediksi
1.06275855
1.064437282
logIC50 prediksi
1.043388302 1.2

1.082814374 1.15 f(x) = 0.2496418743x + 0.8079842699

1.085692682 R = 0.8031949781
1.1
logIC50
Axis Title
1.044831674 1.05 Linear (
1.17399279
1
1.076044228
0.95
0.8 0.9 1 1.1 1.2 1.3 1.4 1.5
1.028930678 Axis Title
1.05581694

6.2560565022
prediksi

+ 0.8079842699

logIC50 prediksi
Linear (logIC50 prediksi)

3 1.4 1.5
 Momen Dipol E Total
Senyawa Log IC50 ( Y ) Konstanta
koef nilai koef nilai
1 1.0102999566 5.6455 166.447
2 1.0354297382 5.3194 161.341
4 1.0827853703 5.2910 160.985
6 1.0595634179 5.8358 184.372
7 1.0310042814 5.8623 203.274
9 1.0281644194 5.4288 188.993
10 1.4255342205 6.6347 207.618
11 1.0863598307 5.3423 226.544
14 0.9132839018 5.5560 167.350
15 0.8981764835 7.8085 196.851
 HF MR Entalpi
Y' Y-Y'
koef nilai koef nilai koef nilai
80.87 80.199 0.354225
53.66 85.003 0.335559
146.27 92.607 0.372649
48.76 85.24 0.370213
28.12 89.841 0.391759
-83.46 86.662 0.328563
-104.1 91.41 0.349305
-124.74 95.934 0.368386
213.64 85.936 0.407861
-289.16 91.726 0.283030
(Y-Y') Y Rata y-y rata (y-y rata) q