ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00223
Compound Nametanshindiol A
Chemical ClassTerpenoids
Molecular Weight312.321
logP1.295
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability291.270
logSwat-3.227
Number of Primary Metabolites5
Polar Surface Area102.340
Rotatable Bonds3
logKhsa-0.217
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.338
Blood Brain Barrier (logBB)-1.042
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0544
NPACT   -
TaxKB   -
Structure Download

 






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