ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03255
Compound Name3-(3-methyl-2-hydroxybut-3-enyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-phloracetophenone
Chemical ClassOrganic Chemicals
Molecular Weight460.480
logP3.542
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability103.651
logSwat-4.351
Number of Primary Metabolites11
Polar Surface Area160.647
Rotatable Bonds14
logKhsa0.412
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.334
Blood Brain Barrier (logBB)-2.250
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2388
NPACT   -
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.