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Compound InformationSONAR Target prediction
Name:

MAACKIAIN

Unique Identifier:SPE00201654
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:12.175  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1
Source:ex Maackia spp
Reference:Experientia 18: 161 (1962)

Found: 97 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [97]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6540±0.0574878
Normalized OD Score: sc h 1.0497±0.00483425
Z-Score: 1.0446±0.0128602
p-Value: 0.29624
Z-Factor: -1.74887
Fitness Defect: 1.2166
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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DBLink | Rows returned: 71 2 Next >> 
91510
161298
363863
373519
454895
1715306

internal high similarity DBLink | Rows returned: 1
SPE01401019 0.9691

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE00100743 0.567164179104478
SPE01401019 0.393939393939394

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