ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04566
Compound NameNeo-tanshinlactone
Chemical ClassOxygen heterocycles
Molecular Weight264.280
logP3.237
H-Bond Donor0.00
H-Bond Acceptor3
Caco-2 Permeability2813.536
logSwat-4.026
Number of Primary Metabolites3
Polar Surface Area47.079
Rotatable Bonds0
logKhsa0.254
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.954
Blood Brain Barrier (logBB)0.055
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00810
TaxKB   -
Structure Download

 






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