|
Cpd no
|
DL
|
LE
|
LLE
|
LELP
|
S-index
|
MolFle
|
Mol.Com
|
|---|
|
16
|
− 0.833
|
0.465
|
5.932
|
4.009
|
0.565
|
0.384
|
0.754
|
|
23
|
− 0.855
|
0.552
|
4.646
|
5.425
|
0.579
|
0.320
|
0.682
|
|
32
|
− 0.754
|
0.447
|
4.349
|
7.038
|
0.522
|
0.387
|
0.762
|
|
36
|
− 6.115
|
0.340
|
0.576
|
20.177
|
0.467
|
0.436
|
0.798
|
|
37
|
− 4.090
|
0.329
|
2.759
|
14.208
|
0.548
|
0.445
|
0.759
|
|
39
|
− 2.876
|
0.391
|
3.845
|
9.117
|
0.538
|
0.444
|
0.778
|
|
44
|
− 0.472
|
0.348
|
5.436
|
5.518
|
0.483
|
0.440
|
0.836
|
|
50
|
1.353
|
0.417
|
3.683
|
8.669
|
0.667
|
0.414
|
0.720
|
|
51
|
− 0.898
|
0.371
|
5.923
|
3.695
|
0.630
|
0.415
|
0.732
|
|
Std1
|
9.365
|
Nil
|
Nil
|
Nil
|
0.542
|
0.381
|
0.895
|
|
Std2
|
5.166
|
Nil
|
Nil
|
Nil
|
0.364
|
0.328
|
1.088
|
|
Std3
|
16.694
|
Nil
|
Nil
|
Nil
|
0.528
|
0.388
|
0.959
|
|
Std4
|
5.216
|
Nil
|
Nil
|
Nil
|
0.353
|
0.326
|
1.106
|
- DL, drug-likeness; LE, ligand efficiency; LLE, ligand lipophilic efficiency; LELP, ligand efficiency dependent lipophilicity; S-index, shape index; MolFex, molecular flexibility; Mol.com, molecular complexity;
Std1, ampicillin; Std2, oxytetracycline; Std3, chlortetracycline; Std4, ceftriaxone
