ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02575
Compound NameN20,N20-Dimethyl-N3-benzoyl-3,20-di-amino-pregn-2-en-4-ol
Chemical ClassUnknown
Molecular Weight464.690
logP5.078
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability394.408
logSwat-5.923
Number of Primary Metabolites3
Polar Surface Area61.392
Rotatable Bonds5
logKhsa1.221
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-6.117
Blood Brain Barrier (logBB)-0.174
CNS Permeability1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1353
NPACT   -
TaxKB   -
Structure Download

 






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