ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03323
Compound Name6, 22-diene-5, 8-epidioxyergosta-3-ol
Chemical ClassSteroids
Molecular Weight428.654
logP6.484
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability2216.371
logSwat-7.656
Number of Primary Metabolites3
Polar Surface Area41.391
Rotatable Bonds5
logKhsa1.677
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.478
Blood Brain Barrier (logBB)-0.396
CNS Permeability0
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2505
NPACT   -
TaxKB   -
Structure Download

 






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