ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03966
Compound Name(22R, 25R)-16beta-H- 22alpha-N-spirosol-3beta-ol-5-ene 3-O-alpha-l-rhamnopyranosyl-(1?->?2)-[alpha-l- rhamnopyranosyl-(1?->?4)]-beta-d-glucopyranoside
Chemical ClassUnknown
Molecular Weight868.069
logP0.348
H-Bond Donor9.00
H-Bond Acceptor26
Caco-2 Permeability7.587
logSwat-3.287
Number of Primary Metabolites11
Polar Surface Area222.352
Rotatable Bonds15
logKhsa-0.613
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-5.831
Blood Brain Barrier (logBB)-2.808
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3684
NPACT   -
TaxKB   -
Structure Download

 






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