ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01751
Compound Namehuajiaosimuline
Chemical ClassAlkaloids
Molecular Weight325.407
logP3.223
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability1634.790
logSwat-4.243
Number of Primary Metabolites2
Polar Surface Area59.795
Rotatable Bonds4
logKhsa0.130
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.160
Blood Brain Barrier (logBB)-0.466
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0101
NPACT   -
TaxKB   -
Structure Download

 






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