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Compound InformationSONAR Target prediction
Name:

DOXORUBICIN

Unique Identifier:SPE01505483
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H29NO11
Molecular Weight:514.289 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)C(=
O)CO
Source:semisynthetic
Therapeutics:antineoplastic

Found: 10 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10 Next >> 
Species: 4932
Condition: ARC18
Replicates: 2
Raw OD Value: r im 0.6311±0.0299813
Normalized OD Score: sc h 0.9017±0.053939
Z-Score: -4.4049±2.34459
p-Value: 0.00300686
Z-Factor: -1.6283
Fitness Defect: 5.8069
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2008-02-28 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00052
Plate DMSO Control (-):0.6834±0.01842
Plate Z-Factor:0.8887
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 5481 | Additional Members: 8 | Rows returned: 5
LOPAC 00975 0.36734693877551
SPE01500223 0.172043010752688
Prest791 0.172043010752688
SPE01505708 0
Prest188 0

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