ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00137
Compound Nameanticancer sesquiterpene PMV70P691-134
Chemical ClassTerpenoids
Molecular Weight366.410
logP1.494
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability144.586
logSwat-3.751
Number of Primary Metabolites5
Polar Surface Area133.917
Rotatable Bonds5
logKhsa-0.109
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.055
Blood Brain Barrier (logBB)-1.509
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0415
NPACT   -
TaxKB   -
Structure Download

 






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