ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03533
Compound NameKalopanaxsaponin A
Chemical ClassTerpenoids
Molecular Weight750.965
logP2.272
H-Bond Donor7.00
H-Bond Acceptor19
Caco-2 Permeability10.979
logSwat-4.460
Number of Primary Metabolites8
Polar Surface Area189.398
Rotatable Bonds12
logKhsa-0.236
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.478
Blood Brain Barrier (logBB)-2.550
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2861
NPACT   -
TaxKB   -
Structure Download

 






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