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

Table 2 Qikprop admet property results

Entry name	Human oral absorption^a	QPlogPo/w^b	CNS^c	mol MW^d	donorHB^e	accptHB^f	Rule of five^g
(4Z, 12Z)- Cyclopentadeca-4, 12-dienone	80	4.393	−2	220	2	4	0

^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.

ISSN: 2662-7671