ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03162
Compound Name1-O-beta-D-glucopyranosyl-(2S,3R)-N-(2'-hydroxyhe xacosanoyl)-octadeca-11E-sphingenine
Chemical ClassOrganic Chemicals
Molecular Weight856.318
logP9.152
H-Bond Donor7.00
H-Bond Acceptor16
Caco-2 Permeability42.878
logSwat-11.614
Number of Primary Metabolites8
Polar Surface Area172.294
Rotatable Bonds49
logKhsa0.989
Number of Reactive Functional Groups1
Number of Amides1
Number of Amines0
Number of Acids0
loghERG-6.575
Blood Brain Barrier (logBB)-6.579
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2243
NPACT   -
TaxKB   -
Structure Download

 






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