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Compound InformationSONAR Target prediction
Name:

ENOXAPARIN SODIUM (1% wt/vol in 10%aq DMSO)

Unique Identifier:SPE01505035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H82N4Na4O53S3
Molecular Weight:1776.76 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1OC(OC2C(O)C(NC(C)=O)C(OC2COS([O-])(
=O)=O)OC2C(O)C(O)C(OC3C(O)C(NC(C)=O)C(OC3CO)OC3C(O)C(O)C(OC4C(O)C(NC(C
)=O)C(OC4COS([O-])(=O)=O)OC4C(O)C(O)C(OC5C(O)C(NC(C)=O)C(OC)OC5CO)OC4C
(O)=O)OC3C(O)=O)OC2C(O)=O)C(OS([O-])(=O)=O)C(
Source:mixed low mol wt fragment of heparin; smallest fragment shown; RP-54563, PK-10169
Therapeutics:antithrombotic

Found: 91 nonactive as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [91]
Species: 4932
Condition: MED2
Replicates: 2
Raw OD Value: r im 0.5654±0.0260922
Normalized OD Score: sc h 0.9785±0.00181473
Z-Score: -0.9566±0.0939347
p-Value: 0.339822
Z-Factor: -4.93067
Fitness Defect: 1.0793
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00100
Plate DMSO Control (-):0.562675±0.01467
Plate Z-Factor:0.8885
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 452 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT026D06 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0

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