ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00543
Compound Name(1aS*,1bS*,7aS*,8aS*)-4,5-Dimethoxy-1a,7a-dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione
Chemical ClassTerpenoids
Molecular Weight302.369
logP2.531
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability1960.764
logSwat-3.273
Number of Primary Metabolites4
Polar Surface Area68.666
Rotatable Bonds2
logKhsa-0.081
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.438
Blood Brain Barrier (logBB)-0.190
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1862
NPACT   -
TaxKB   -
Structure Download

 






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