ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01491
Compound Name 2-Debenzoyl-2-tigloyl-10-deaccetyl-baccatin III
Chemical ClassTerpenoids
Molecular Weight522.591
logP0.840
H-Bond Donor4.00
H-Bond Acceptor14
Caco-2 Permeability79.433
logSwat-3.200
Number of Primary Metabolites8
Polar Surface Area171.537
Rotatable Bonds8
logKhsa-0.322
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.520
Blood Brain Barrier (logBB)-1.827
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   51
Structure Download

 






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