ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00176
Compound Nameanticancer sesquiterpene PMV70P691-132
Chemical ClassTerpenoids
Molecular Weight238.369
logP2.376
H-Bond Donor2.00
H-Bond Acceptor3
Caco-2 Permeability2178.421
logSwat-2.925
Number of Primary Metabolites2
Polar Surface Area40.650
Rotatable Bonds2
logKhsa0.094
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.532
Blood Brain Barrier (logBB)-0.082
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0466
NPACT   -
TaxKB   -
Structure Download

 






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