ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03148
Compound Name(2S,3R)-3-hydroxymethyl-N-(2'-hydroxynonacosanoyl)-trideca-9E-sphingenine
Chemical ClassOrganic Chemicals
Molecular Weight696.148
logP10.548
H-Bond Donor5.00
H-Bond Acceptor8
Caco-2 Permeability99.543
logSwat-11.989
Number of Primary Metabolites6
Polar Surface Area115.410
Rotatable Bonds43
logKhsa1.932
Number of Reactive Functional Groups0
Number of Amides1
Number of Amines0
Number of Acids0
loghERG-6.236
Blood Brain Barrier (logBB)-5.178
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2207
NPACT   -
TaxKB   -
Structure Download

 






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