ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00949
Compound Namemacrocalin B
Chemical ClassOxygen heterocycles
Molecular Weight362.422
logP1.542
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability635.426
logSwat-2.451
Number of Primary Metabolites3
Polar Surface Area96.852
Rotatable Bonds4
logKhsa-0.164
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.443
Blood Brain Barrier (logBB)-0.602
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3421
NPACT   -
TaxKB   -
Structure Download

 






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