ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00664
Compound NameNeoisostegane
Chemical ClassLignans
Molecular Weight414.454
logP3.641
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability3036.878
logSwat-4.093
Number of Primary Metabolites8
Polar Surface Area77.791
Rotatable Bonds5
logKhsa0.136
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.127
Blood Brain Barrier (logBB)-0.232
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2104
NPACT   -
TaxKB   -
Structure Download

 






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