ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02366
Compound NameSeco-neokadsuranic acid A
Chemical ClassTerpenoids
Molecular Weight468.675
logP7.282
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability15.719
logSwat-7.848
Number of Primary Metabolites8
Polar Surface Area98.279
Rotatable Bonds9
logKhsa1.365
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids2
loghERG-1.173
Blood Brain Barrier (logBB)-1.688
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations3
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1092
NPACT   -
TaxKB   -
Structure Download

 






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