ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01460
Compound Name 1beta-Acetoxy-5, 7, 10-deacetylbaccatin I
Chemical ClassTerpenoids
Molecular Weight624.724
logP2.116
H-Bond Donor3.00
H-Bond Acceptor15
Caco-2 Permeability47.467
logSwat-4.385
Number of Primary Metabolites5
Polar Surface Area203.831
Rotatable Bonds11
logKhsa-0.028
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.247
Blood Brain Barrier (logBB)-2.454
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   -
TaxKB   18
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.