ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00224
Compound Nametanshindiol B
Chemical ClassTerpenoids
Molecular Weight312.321
logP1.333
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability347.724
logSwat-3.321
Number of Primary Metabolites5
Polar Surface Area101.214
Rotatable Bonds2
logKhsa-0.178
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.247
Blood Brain Barrier (logBB)-0.895
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0545
NPACT   -
TaxKB   -
Structure Download

 






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