ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01454
Compound Name 1-Acetyl-10-deacetylbaccatin III
Chemical ClassTerpenoids
Molecular Weight586.635
logP1.386
H-Bond Donor3.00
H-Bond Acceptor15
Caco-2 Permeability172.110
logSwat-3.046
Number of Primary Metabolites4
Polar Surface Area165.205
Rotatable Bonds7
logKhsa-0.305
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.924
Blood Brain Barrier (logBB)-1.391
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   12
Structure Download

 






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