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

Compound InformationSONAR Target prediction
Name:

DIHYDROMUNDULONE

Unique Identifier:SPE00210201
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H30O6
Molecular Weight:408.275 g/mol
X log p:8.622  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1c2CCC(C)(C)Oc2ccc1C1COc2cc3OC(C)(C)C(O)Cc3cc2C1=O
Source:derivative

Found: 101 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [101]
Species: 4932
Condition: ROM2
Replicates: 2
Raw OD Value: r im 0.6765±0.00905097
Normalized OD Score: sc h 1.0295±0.0025
Z-Score: 1.2999±0.0657275
p-Value: 0.194118
Z-Factor: -4.85866
Fitness Defect: 1.6393
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-11-21 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00125
Plate DMSO Control (-):0.6479999999999999±0.10776
Plate Z-Factor:0.3988
png
ps
pdf

DBLink | Rows returned: 1
3953335

internal high similarity DBLink | Rows returned: 0

active | Cluster 2161 | Additional Members: 6 | Rows returned: 3
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

Service provided by the Mike Tyers Laboratory