ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04795
Compound NameCalamistrin B
Chemical ClassPolyketides
Molecular Weight650.978
logP9.110
H-Bond Donor2.00
H-Bond Acceptor10
Caco-2 Permeability285.216
logSwat-11.626
Number of Primary Metabolites5
Polar Surface Area120.466
Rotatable Bonds31
logKhsa1.791
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.277
Blood Brain Barrier (logBB)-3.847
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01153
TaxKB   -
Structure Download

 






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