ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03944
Compound Namealpha-Tocospiro B
Chemical ClassBenzopyranoids
Molecular Weight448.685
logP6.867
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability1808.167
logSwat-8.206
Number of Primary Metabolites4
Polar Surface Area70.684
Rotatable Bonds14
logKhsa1.446
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.466
Blood Brain Barrier (logBB)-1.184
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3654
NPACT   -
TaxKB   -
Structure Download

 






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