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. 2020 Nov 27;52(6):475–494. doi: 10.1007/s10863-020-09858-0

Table 10.

Pharmacokinetics of designed 2-(4-fluorophenyl) imidazole-5-ones compounds

S/No. MW (mg/mol) nAH nRB HBA HBD MR TPSA (Å2) iLOGP BBB PAIN Brenk
1 415.24 17 3 4 0 114.8 45.81 3.81 Yes 1 2
2 415.24 17 3 4 0 114.8 3.72 3.72 Yes 1 2
3 504.15 17 3 4 0 120.18 45.81 3.93 Yes 1 1
4 382.34 17 3 6 0 104.69 45.81 3.52 Yes 1 1
5 415.24 17 3 4 0 114.80 45.81 3.70 Yes 1 1
6 415.24 17 3 4 0 114.80 45.81 3.72 Yes 1 2
7 504.15 17 3 4 0 120.18 45.81 3.80 Yes 1 2
8 490.12 17 3 4 0 115.21 45.81 3.51 Yes 1 1
9 401.22 17 3 4 0 109.83 45.81 3.49 Yes 1 2
10 490.12 17 3 4 0 115.21 45.81 3.51 Yes 1 1
11 490.12 17 3 4 0 115.21 45.81 3.74 Yes 1 2
12 401.22 17 3 4 0 109.83 45.81 3.35 Yes 1 1
13 490.12 17 3 4 0 115.21 45.81 3.70 Yes 1 2
14 401.22 17 3 4 0 109.83 45.81 3.49 Yes 1 2
15 472.25 17 3 4 0 117.49 45.81 3.67 Yes 1 2
16 425.25 17 3 4 0 112.48 45.81 3.76 Yes 1 1
17 380.80 17 3 4 0 109.79 45.81 3.72 Yes 1 1
18 366.77 17 3 4 0 104.82 45.81 3.29 Yes 1 1

MW Molecular weight (<500 mg/mol), nAH number of aromatic heavy atoms, nRB rotatable bonds, HBA Hydrogen bond acceptors, HBD Hydrogen bond donors, MR molecular refractivity, TPSA Topological polar surface area, BBB blood-brain barrier