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Compound InformationSONAR Target prediction
Name:

ESTRADIOL PROPIONATE

Unique Identifier:SPE01501179
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:7.127  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C
Source:semisynthetic
Therapeutics:estrogen

Found: 464 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [464]
Species: 4932
Condition: SPE01500820
Replicates: 2
Raw OD Value: r im 0.8127±0
Normalized OD Score: sc h 1.0522±0
Z-Score: 2.1234±0
p-Value: 0.033718
Z-Factor: 0.00520813
Fitness Defect: 3.3897
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04075±0.00079
Plate DMSO Control (-):0.767±0.01384
Plate Z-Factor:0.9394
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DBLink | Rows returned: 3
3266 (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
19571 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] propanoate
6710670 [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]
propanoate

internal high similarity DBLink | Rows returned: 3
SPE01500283 0.9659
SPE01501184 0.9765
SPE01500284 0.9770

active | Cluster 13982 | Additional Members: 12 | Rows returned: 3
SPE01500284 0.394736842105263
SPE01501184 0.318181818181818
SPE01500282 0

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