ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05007
Compound Name1-alpha-(alpha-Methyl0-butanoyl-2-alpha-(alpha-methyl)-propynoyloxy-4-beta-hydroxy-9-beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran
Chemical ClassTerpenoids
Molecular Weight592.682
logP4.780
H-Bond Donor1.00
H-Bond Acceptor10
Caco-2 Permeability728.571
logSwat-5.093
Number of Primary Metabolites5
Polar Surface Area145.997
Rotatable Bonds10
logKhsa0.697
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.179
Blood Brain Barrier (logBB)-1.109
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01465
TaxKB   -
Structure Download

 






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