Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

LEOIDIN DIMETHYL ETHER

Unique Identifier:SPE00241150
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20Cl2H18O7
Molecular Weight:423.115 g/mol
X log p:2.79  (online calculus)
Lipinksi Failures0
TPSA80.29
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:COC(=O)c1c(C)c2Oc3c(Cl)c(OC)c(Cl)c(C)c3C(=O)Oc2c(C)c1OC
Source:ex lichen constitutent

Found: 99 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [99]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.7427±0.0121622
Normalized OD Score: sc h 1.0319±0.00630522
Z-Score: 0.7841±0.0249948
p-Value: 0.433056
Z-Factor: -2.899
Fitness Defect: 0.8369
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.038349999999999995±0.00122
Plate DMSO Control (-):0.7343500000000001±0.03023
Plate Z-Factor:0.8664
png
ps
pdf

DBLink | Rows returned: 1
3310692

internal high similarity DBLink | Rows returned: 2
SPE00200035 0.9389
SPE00200033 0.9722

active | Cluster 259 | Additional Members: 4 | Rows returned: 2
SPE00200033 0.454545454545455
SPE01400422 0.442622950819672

Service provided by the Mike Tyers Laboratory