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Table 6 ADME properties of indole diazenyl Schiff bases (DS1DS21) by Qikprop module of Schrodinger

From: Indole hybridized diazenyl derivatives: synthesis, antimicrobial activity, cytotoxicity evaluation and docking studies

Comp. MW Donor HB Acceptor HB (Log Po/w) (QPlogS) (QPPMDCK) (QPlogBB) Rule of Five % Oral absorption
DS-1 342.399 1.00 3.50 4.888 − 5.776 864.120 − 0.617 0 100
DS-2 470.588 1.00 5.00 6.083 − 7.814 564.131 − 1.016 1 100
DS-3 546.947 1.00 7.00 4.160 − 7.620 8.456 − 3.210 2 41.89
DS-5 512.502 1.00 7.00 3.729 − 7.238 3.533 − 3.464 2 38.89
DS-6 493.524 1.00 8.00 4.595 − 7.214 71.086 − 1.885 0 93.59
DS-7 374.462 1.00 5.00 4.211 − 5.864 343.064 − 1.110 0 100
DS-10 452.299 1.00 4.00 5.219 − 7.051 386.353 − 1.300 1 85.55
DS-11 494.570 2.00 8.500 4.422 − 6.748 85.060 − 1.945 0 93.76
DS-13 417.854 1.00 4.00 4.320 − 4.299 493.198 − 0.688 0 100
DS-14 382.421 2.00 5.00 3.949 − 3.722 47.744 − 0.975 0 85.21
DS-15 504.519 2.00 9.00 2.377 − 3.734 13.240 − 2.063 2 42.512
DS-16 401.399 1.00 4.00 4.627 − 6.447 148.752 − 1.521 0 94.824
DS-17 340.387 1.00 5.00 3.227 − 3.492 353.077 − 0.687 0 100.000
DS-19 495.558 2.00 9.50 3.858 − 6.342 65.284 − 2.073 0 88.565
DS-20 431.539 2.00 4.00 6.504 − 7.473 997.487 − 0.729 1 100.00
DS-21 440.478 1.00 5.50 4.377 − 6.667 76.004 − 1.861 0 89.828
CFT 455.460 3.25 12.95 0.586 − 7.254 1.758 − 3.778 1 21.057
CPR 331.346 1.00 6.00 0.280 − 4.829 10.642 − 0.643 0 48.759
NOV 612.632 5.25 13.15 2.612 − 3.791 3.490 − 4.055 3 21.432
  1. CFT cefotaxime, CPR ciprofloxacin, NOV novobiocin, MW molecular weight, DonorHB hydrogen bond donor, AcceptorHB hydrogen bond acceptor, PO/W partition coefficient in oil and water, QPlogS aqueous solubility, QPPMDCK apparent MDCK cell permeability, QPlogBB brain/blood partition coefficient