ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01177
Compound NameIsorosmanol
Chemical ClassTerpenoids
Molecular Weight346.422
logP2.104
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability465.022
logSwat-3.687
Number of Primary Metabolites5
Polar Surface Area92.309
Rotatable Bonds4
logKhsa0.098
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.515
Blood Brain Barrier (logBB)-0.870
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00681
TaxKB   -
Structure Download

 






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