ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00371
Compound Name2,3,7-Trihydroxy-6-oxo-1,3,5(10),7-tetra-ene-24-nor-friedelane-29-oic acid methylester
Chemical ClassTerpenoids
Molecular Weight496.642
logP4.021
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability119.493
logSwat-6.311
Number of Primary Metabolites4
Polar Surface Area112.163
Rotatable Bonds4
logKhsa1.036
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.154
Blood Brain Barrier (logBB)-1.547
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1069
NPACT   -
TaxKB   -
Structure Download

 






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