ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04244
Compound NameCalamistrin D
Chemical ClassPolyketides
Molecular Weight608.941
logP8.355
H-Bond Donor3.00
H-Bond Acceptor10
Caco-2 Permeability234.418
logSwat-10.899
Number of Primary Metabolites6
Polar Surface Area110.026
Rotatable Bonds31
logKhsa1.499
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.297
Blood Brain Barrier (logBB)-3.983
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00368
TaxKB   -
Structure Download

 






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