ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04976
Compound Name2,3-dihydro-3-beta -methoxyixocarpalactone B
Chemical ClassSteroids
Molecular Weight534.645
logP1.864
H-Bond Donor3.00
H-Bond Acceptor14
Caco-2 Permeability330.108
logSwat-4.323
Number of Primary Metabolites5
Polar Surface Area138.417
Rotatable Bonds4
logKhsa-0.013
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.741
Blood Brain Barrier (logBB)-1.070
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01413
TaxKB   -
Structure Download

 






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