ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03101
Compound NameRepandusinic acid A
Chemical ClassCarbohydrates
Molecular Weight970.671
logP-4.271
H-Bond Donor15.00
H-Bond Acceptor27
Caco-2 Permeability0.000
logSwat-2.694
Number of Primary Metabolites15
Polar Surface Area524.856
Rotatable Bonds21
logKhsa-1.928
Number of Reactive Functional Groups7
Number of Amides0
Number of Amines0
Number of Acids2
loghERG-2.455
Blood Brain Barrier (logBB)-10.375
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2139
NPACT   -
TaxKB   -
Structure Download

 






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