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. 2017 Jul 5;11:2029–2046. doi: 10.2147/DDDT.S137550

Table 4.

Chemo-informatics evaluation of the synthesized compounds

Properties 4a 4b 4c 4d 4e 6a 6b 6c 6d 6e
MW 327 327 343 343 343 337 353 353 369 371
HBA 4 4 5 5 5 3 4 4 5 3
HBD 2 2 3 3 3 1 2 2 3 1
Log P 2.8 3.8 3.4 3.4 3.5 4.8 4.4 4.5 4.1 4.5
PSA 61 61 77 76 78 42 59 60 77 42
MV 328 328 339 341 339 361 372 372 382 378
Drug score 1.09 1.11 1.41 1.30 0.85 0.35 0.42 0.68 0.69 0.83
RO5 Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes

Abbreviations: MW, molecular weight (g/mol); HBA, hydrogen bond acceptor; HBD, hydrogen bond donor; Log P, lipophilicity of partition coefficient; PSA, polar surface area; MV, molar volume (A3); RO5, rule of five.