ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04439
Compound NameHederacolchisides A1
Chemical ClassSaponin
Molecular Weight897.108
logP1.132
H-Bond Donor9.00
H-Bond Acceptor26
Caco-2 Permeability0.890
logSwat-5.583
Number of Primary Metabolites10
Polar Surface Area253.296
Rotatable Bonds16
logKhsa-0.763
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.961
Blood Brain Barrier (logBB)-4.790
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00646
TaxKB   -
Structure Download

 






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