ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04250
Compound NameCalenduloside F6'-O-n butyl ester
Chemical ClassTerpenoids
Molecular Weight851.082
logP3.146
H-Bond Donor6.00
H-Bond Acceptor20
Caco-2 Permeability7.048
logSwat-6.907
Number of Primary Metabolites10
Polar Surface Area233.447
Rotatable Bonds16
logKhsa0.341
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.620
Blood Brain Barrier (logBB)-4.307
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00374
TaxKB   -
Structure Download

 






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