ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03105
Compound Name(+)-(20S)-20-(dimethylamino)-16alpha-hydroxy-3beta-(3'alpha-isopropyl)-lactam-5alpha-pregn-4-one
Chemical ClassAlkaloids
Molecular Weight472.710
logP3.875
H-Bond Donor1.00
H-Bond Acceptor8
Caco-2 Permeability209.843
logSwat-5.102
Number of Primary Metabolites4
Polar Surface Area78.892
Rotatable Bonds4
logKhsa0.753
Number of Reactive Functional Groups2
Number of Amides1
Number of Amines1
Number of Acids0
loghERG-3.902
Blood Brain Barrier (logBB)-0.223
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2145
NPACT   -
TaxKB   -
Structure Download

 






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