ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01787
Compound Nameisostrychnopentamine A
Chemical ClassSimple aromatic natural products
Molecular Weight549.758
logP5.431
H-Bond Donor3.00
H-Bond Acceptor7
Caco-2 Permeability48.801
logSwat-5.347
Number of Primary Metabolites11
Polar Surface Area57.271
Rotatable Bonds4
logKhsa1.708
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines3
Number of Acids0
loghERG-8.539
Blood Brain Barrier (logBB)0.552
CNS Permeability2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0158
NPACT   -
TaxKB   -
Structure Download

 






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