|
Cpd no
|
MW
|
cLogP
|
cLogS
|
H–A
|
H–D
|
Violation
|
TPSA
|
R-Bond
|
|---|
|
16
|
315.284
|
1.864
|
− 3.903
|
8
|
2
|
Nil
|
116.74
|
5
|
|
23
|
341.188
|
2.992
|
− 4.374
|
6
|
2
|
Nil
|
115.71
|
3
|
|
32
|
354.148
|
3.146
|
− 5.357
|
7
|
2
|
Nil
|
107.51
|
4
|
|
36
|
420.473
|
6.868
|
− 6.523
|
4
|
2
|
1
|
61.69
|
6
|
|
37
|
427.499
|
4.673
|
− 5.985
|
8
|
2
|
Nil
|
116.74
|
8
|
|
39
|
368.31
|
3.564
|
− 4.239
|
6
|
2
|
Nil
|
80.15
|
6
|
|
44
|
402.406
|
1.920
|
− 5.6
|
10
|
2
|
Nil
|
153.33
|
6
|
|
50
|
393.236
|
3.618
|
− 4.216
|
6
|
3
|
Nil
|
91.15
|
6
|
|
51
|
375.336
|
1.369
|
− 3.701
|
10
|
2
|
Nil
|
135.2
|
8
|
|
Std1
|
349.41
|
− 1.657
|
− 1.565
|
7
|
3
|
Nil
|
138.02
|
4
|
|
Std2
|
460.438
|
− 2.184
|
− 1.43
|
11
|
7
|
2
|
210.85
|
2
|
|
Std3
|
554.588
|
− 3.011
|
− 2.953
|
15
|
4
|
2
|
287.82
|
8
|
|
Std4
|
494.883
|
− 1.578
|
− 2.166
|
11
|
7
|
2
|
201.85
|
2
|
- MW = molecular weight; cLogP = calculated logP; sLogS = solubility; H-A = hydrogen bond acceptor; H-D = hydrogen bond donor; TPSA = total polar surface area; R-Bond = rotatable bond; Std1 = ampicillin; Std2 = oxytetracycline; Std3 = chlortetracycline; Std4 = ceftriaxone
