Molecular Design and In-Silico Analysis of Trisubstituted Benzimidazole Derivatives as Ftsz Inhibitor
Table 4
Drug-likeness and pharmacokinetic properties.
Code
Lipinski’s RO5/drug-likeness
Pharmacokinetics properties
MW
HBA
HBD
Log
Violation
Logs
GI abs.
CYP1A2 inhibitor
BBB
Log
A1
309.3
4
2
2.03
Zero
−3.79
High
Yes
No
−6.40
A2
413.4
6
2
3.20
Zero
−5.30
High
No
No
−5.88
A3
427.4
5
1
4.22
One (>log)
−5.87
High
No
No
−5.25
A4
413.4
5
2
2.80
Zero
−5.27
High
No
No
−5.84
A5
413.4
6
2
3.20
Zero
−5.30
High
No
No
−5.88
A6
442.4
7
1
2.85
Zero
−5.50
High
No
No
−5.92
A7
443.4
7
2
2.89
Zero
−5.37
High
No
No
−6.08
A8
427.4
6
1
3.41
Zero
−5.51
High
No
No
−5.73
A9
400.4
4
3
2.92
Zero
−5.19
High
Yes
No
−5.86
A10
400.4
4
3
2.92
Zero
−5.19
High
Yes
No
−5.86
A11
400.4
4
3
2.92
Zero
−5.19
High
Yes
No
−5.86
A12
434.8
4
3
3.40
Zero
−5.78
Low
No
No
−5.62
A13
434.8
4
3
3.40
Zero
−5.78
Low
No
No
−5.62
A14
418.4
5
3
3.29
Zero
−5.35
High
No
No
−5.90
A15
472.3
8
3
4.41
One (>log)
−5.81
Low
No
No
−6.01
A16
445.4
6
3
2.07
Zero
−5.59
Low
Yes
No
−5.86
A17
524.3
6
3
2.65
One (>MW)
−6.15
Low
No
No
−6.25
A18
414.4
4
3
3.13
Zero
−5.48
High
Yes
No
−5.69
A19
414.4
4
3
3.13
Zero
−5.48
High
Yes
No
−5.69
A20
414.4
4
3
3.13
Zero
−5.48
High
Yes
No
−5.69
A21
401.4
6
2
1.66
Zero
−2.70
High
No
No
−8.32
Log : skin permeability in cm/s, log S (ESOL): water solubility, MW: molecular weight in gram, HBD: hydrogen bond donor, HBA: hydrogen bond acceptor, BBB: blood-brain barrier.
