ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01972
Compound Namecaseamembrol B
Chemical ClassTerpenoids
Molecular Weight534.645
logP3.814
H-Bond Donor2.00
H-Bond Acceptor11
Caco-2 Permeability251.660
logSwat-5.781
Number of Primary Metabolites4
Polar Surface Area141.748
Rotatable Bonds11
logKhsa0.417
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.138
Blood Brain Barrier (logBB)-1.873
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol0500
NPACT   -
TaxKB   -
Structure Download

 






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