ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04347
Compound NameDiynene
Chemical ClassUnknown
Molecular Weight260.375
logP3.993
H-Bond Donor2.00
H-Bond Acceptor3
Caco-2 Permeability1062.904
logSwat-5.188
Number of Primary Metabolites2
Polar Surface Area44.373
Rotatable Bonds12
logKhsa0.333
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.032
Blood Brain Barrier (logBB)-1.329
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00513
TaxKB   -
Structure Download

 






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