ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03301
Compound Name4'-Chloro-O-methyl-3',4'-deoxypsorospermin-3',5'-diol
Chemical ClassUnknown
Molecular Weight406.819
logP3.107
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability758.535
logSwat-5.023
Number of Primary Metabolites5
Polar Surface Area96.473
Rotatable Bonds6
logKhsa0.117
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.472
Blood Brain Barrier (logBB)-0.843
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2455
NPACT   -
TaxKB   -
Structure Download

 






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