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Table 2 Qikprop admet property results

From: Molecular docking studies of (4Z, 12Z)-cyclopentadeca-4, 12-dienone from Grewia hirsuta with some targets related to type 2 diabetes

Entry name Human oral absorptiona QPlogPo/wb CNSc mol MWd donorHBe accptHBf Rule of fiveg
(4Z, 12Z)- Cyclopentadeca-4, 12-dienone 80 4.393 −2 220 2 4 0
  1. a% Human oral absorption: <25% is poor absorption. bQPlogPo/w: Partition coefficient; recommended range -2.0 - 6.5. cCNS: Predictive Central Nervous Activity -2 (inactive) to +2 (active). dM.wt.: Molecular weight of the molecule < 500 is preferred. edonor HB: Estimated number of hydrogen bonds that would be donated by the solute to water molecules in an aqueous solution, recommended range 0.0 - 6.0 faccpt HB: Estimated number of hydrogen bonds that would be accepted by the solute from water molecules in an aqueous solution, recommended range 2 - 20. gRule of five: Number of violations of Lipinski’s rule of five; recommended range 0 - 4.