ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00079
Compound Name(4R,5R,7S,8S,9S)-7-hydroxy-8-hydroxy-methyl-4-methyl-perhydrocyclopenta[c]pyran-1-one
Chemical ClassUnknown
Molecular Weight200.234
logP-0.057
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability404.547
logSwat-1.269
Number of Primary Metabolites3
Polar Surface Area81.500
Rotatable Bonds3
logKhsa-0.647
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.361
Blood Brain Barrier (logBB)-0.702
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0289
NPACT   -
TaxKB   -
Structure Download

 






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