ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03161
Compound Name1-O-beta-D-glucopyranosyl-(2S, 3R)-N-(2'-hydroxype-ntacosanoyl)-octadeca-11E-sphingenine
Chemical ClassOrganic Chemicals
Molecular Weight842.291
logP8.945
H-Bond Donor7.00
H-Bond Acceptor16
Caco-2 Permeability45.020
logSwat-11.689
Number of Primary Metabolites8
Polar Surface Area170.168
Rotatable Bonds48
logKhsa0.936
Number of Reactive Functional Groups1
Number of Amides1
Number of Amines0
Number of Acids0
loghERG-6.627
Blood Brain Barrier (logBB)-6.526
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2242
NPACT   -
TaxKB   -
Structure Download

 






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