ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00842
Compound NameJianshirubesin D
Chemical ClassTerpenoids
Molecular Weight362.422
logP1.322
H-Bond Donor1.00
H-Bond Acceptor8
Caco-2 Permeability338.018
logSwat-2.817
Number of Primary Metabolites4
Polar Surface Area109.344
Rotatable Bonds3
logKhsa-0.255
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.191
Blood Brain Barrier (logBB)-0.872
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2856
NPACT   -
TaxKB   -
Structure Download

 






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