From:  Multiscale computational profiling of a promising carbapenemase inhibitor: from binding dynamics to quantum reactivity

 Pharmacokinetic profile of EUB0000226b.

No.ParameterOptimal rangeResult
1Size150–500 g/mol342.35 g/mol
2Lipophilicity (consensus)–0.7 to +5.00.09
3Polarity20 to 130 Å2126.65 Å2
4Water solubility (ESOL)–6 to 0–2.48 (soluble)
5Insaturation0.25 to 1.00.29
6Flexibility0 to 93
7PharmacokineticsGastrointestinal (GI) absorptionHigh
Blood-brain barrier (BBB) permeantNo
P-glycoprotein (P-gp) substrateNo
8DruglikenessLipinskiYes, 0 violations
Bioavailability score0.55
9Medicinal chemistrySynthetic accessibility4.20
LeadlikenessYes