ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00992
Compound Namewithametelin O
Chemical ClassOrganic Chemicals
Molecular Weight470.605
logP3.512
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability454.162
logSwat-5.580
Number of Primary Metabolites4
Polar Surface Area102.142
Rotatable Bonds3
logKhsa0.620
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.443
Blood Brain Barrier (logBB)-0.920
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3629
NPACT   -
TaxKB   -
Structure Download

 






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