ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00380
Compound NameStachybotrydial (Mer-NF5003F)
Chemical ClassOrganic Chemicals
Molecular Weight386.487
logP2.282
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability124.860
logSwat-4.325
Number of Primary Metabolites3
Polar Surface Area117.236
Rotatable Bonds4
logKhsa0.294
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.738
Blood Brain Barrier (logBB)-1.418
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1114
NPACT   -
TaxKB   -
Structure Download

 






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