ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00676
Compound Name(-)-3beta,16alpha-dihydroxycleroda-4(18),13(14)Z-dien-15,16-olide
Chemical ClassTerpenoids
Molecular Weight334.455
logP2.255
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability334.207
logSwat-3.650
Number of Primary Metabolites2
Polar Surface Area85.468
Rotatable Bonds5
logKhsa0.115
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.684
Blood Brain Barrier (logBB)-1.057
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2173
NPACT   -
TaxKB   -
Structure Download

 






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