ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00954
Compound Namemethyltanshinoate
Chemical ClassTerpenoids
Molecular Weight338.359
logP1.906
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability385.563
logSwat-3.437
Number of Primary Metabolites3
Polar Surface Area95.483
Rotatable Bonds1
logKhsa-0.201
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.379
Blood Brain Barrier (logBB)-0.833
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3443
NPACT   -
TaxKB   -
Structure Download

 






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