ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03889
Compound Nameschigrandilactones B
Chemical ClassSteroids
Molecular Weight558.581
logP0.310
H-Bond Donor1.00
H-Bond Acceptor16
Caco-2 Permeability147.802
logSwat-2.775
Number of Primary Metabolites5
Polar Surface Area180.827
Rotatable Bonds2
logKhsa-0.750
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.560
Blood Brain Barrier (logBB)-1.235
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3562
NPACT   -
TaxKB   -
Structure Download

 






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