Table 6 Compliance of active compound with computational parameters of drug likeness and ADME properties.

From: Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

Compound

MW

log P

donorHB

accptHB

#NandO

PSA

5a

508.616

6.042

1

6.2

6

73.002

5b

522.643

6.619

0

6.2

6

64.701

5c

495.617

6.881

0

6.2

5

62.494

6a

510.632

5.37

3

6.9

6

65.447

6b

524.658

6.047

2

6.9

6

54.064

6c

497.633

6.227

2

6.9

5

51.733

  1. Note: MW, Molecular weight; Log P, Octanol/water partition coefficient; donorHB, Hydrogen bond donor; accptHB, Hydrogen bond acceptor; #NandO, Number of nitrogen and oxygen atoms.
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