10967/132 - QDB Compounds

QsarDB Repository

Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

ID:201
Name:Miloxacin
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C12H9NO6/c1-17-13-4-7(12(15)16)11(14)6-2-9-10(3-8(6)13)19-5-18-9/h2-4H,5H2,1H3,(H,15,16)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-0.92

experimental value

-1.432

Eq2: Model for drug-like chemicals, in vivo (Training set)

-1.4359

Eq5: Model for all chemicals, in vivo and in vitro (Training set)

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