ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00182
Compound Name12,17-dihydroxylabda-7,13(E)-diene
Chemical ClassTerpenoids
Molecular Weight306.487
logP3.750
H-Bond Donor2.00
H-Bond Acceptor3
Caco-2 Permeability1376.858
logSwat-4.106
Number of Primary Metabolites6
Polar Surface Area42.805
Rotatable Bonds6
logKhsa0.539
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.261
Blood Brain Barrier (logBB)-0.541
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0480
NPACT   -
TaxKB   -
Structure Download

 






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