ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04794
Compound NameCalamistrin A
Chemical ClassPolyketides
Molecular Weight608.941
logP8.368
H-Bond Donor3.00
H-Bond Acceptor10
Caco-2 Permeability188.402
logSwat-11.336
Number of Primary Metabolites6
Polar Surface Area112.167
Rotatable Bonds31
logKhsa1.534
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.414
Blood Brain Barrier (logBB)-4.220
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01152
TaxKB   -
Structure Download

 






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