Induction of antimicrobial, antioxidant metabolites production by co-cultivation of two red-sea-sponge-associated Aspergillus sp. CO2 and Bacillus sp. COBZ21

Table 7 ADME-related physicochemical parameters of Ba-Asp

Predictive models parameters		Compound 1
Physicochemical Properties	Molecular Weight	584.87 g/mol
	Fraction Csp3	0.50
	Rotatable bonds	10
	H-bond acceptors	3
	H-bond donors	2
	Molar Refractivity	186.28
	Topological polar surface area (TPSA)	52.99 Å²
Lipophilicity	Log Po/w (XLOGP3)	10.34
	Log P_o/w (WLOGP)	9.76
	Log P_o/w (MLOGP)	6.15
Solubility	Log S (ESOL)	-5.66
	Solubility	2 1.28e-03 mg/ml; 2.18e-06 mol/l
	Class	Moderately soluble
Druglikeness	Lipinski (RO5)	No; 2 violations: MW > 500, MLOGP > 4.15
	Ghose	No; 4 violations: MW > 480, WLOGP > 5.6, MR > 130, #atoms > 70
	Veber	Yes
	Bioavailability Score	0.17
Leadlikness	Rule of three (RO3)	No; 3 violations: MW > 350, Rotors > 7, XLOGP3 > 3.5
Leadlikness	Synthetic accessibility	7.37

Log P_o/w = The partition coefficient between n-octanol and water, Log S = The decimal logarithm of the molar solubility in water. ^f Lipinski (RO5) criteria range are lipophilicity (Log P_o/w) ≤ 5, MW ≤ 500, H-bond donors ≤ 5, and H-bond acceptors ≤ 10. Ghose filter criteria range is Log P_o/w in -0.4 to + 5.6 range, MR from 40 to 130, MW from 180 to 480, No. of atoms from 20 to 70. Veber rule criteria range are: RB ≤ 10 and TPSA ≤ 140 Å². ⁱRO3 criteria range is XLOGP3 ≤ 3.5, MW ≤ 350, H-bond donors ≤ 3, H-bond acceptors ≤ 3, and RB ≤ 3. Synthetic accessibility (SA) score ranges from 1 (very easy) to 10 (very difficult)

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