ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04020
Compound Name22-epicalamistrin
Chemical ClassPolyketides
Molecular Weight665.005
logP9.480
H-Bond Donor2.00
H-Bond Acceptor10
Caco-2 Permeability182.214
logSwat-12.321
Number of Primary Metabolites5
Polar Surface Area126.851
Rotatable Bonds32
logKhsa1.968
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.410
Blood Brain Barrier (logBB)-4.302
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00073
TaxKB   -
Structure Download

 






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