The table below displays ChEMBL targets which are predicted to interact with DECYLUBIQUINONE (CHEMBL217894). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not DECYLUBIQUINONE (CHEMBL217894) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

Target	Target Pref. Name	Confidence 70%	Confidence 80%	Confidence 90%	Activity Threshold
CHEMBL2902	Dihydrofolate reductase	inactive	inactive	inactive	6
CHEMBL2725	Beta-lactamase	active	active	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	inactive	inactive	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	empty	inactive	inactive	6

Calculated Properties

Molecular Weight:

322.45

Molecular Weight (Monoisotopic):

322.2144

AlogP:

4.49

#Rotatable Bonds:

Polar Surface Area:

52.60

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

5.00

CX LogD:

5.00

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.42

Np Likeness Score:

1.28

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79145239 Alert Name: I1 Aliphatic methylene chains 7 or more long 1 Alert ID: 79239037 Alert Name: N1 Quinones 2 1 - 2 out of 2
BMS	7	Alert ID: 81068683 Alert Name: gte_10_carbon_sb_chain 1 Alert ID: 81126615 Alert Name: gte_8_CF2_or_CH2 2 1 - 2 out of 2
PAINS	6	Alert ID: 81296775 Alert Name: quinone_A(370) 1 1 out of 1
Dundee	4	Alert ID: 79368932 Alert Name: Aliphatic long chain 1 Alert ID: 79690791 Alert Name: chinone 2 1 - 2 out of 2
MLSMR	3	Alert ID: 81557891 Alert Name: Ketone 1 Alert ID: 82080096 Alert Name: long chain hydrocarbon 2 Alert ID: 82208743 Alert Name: Long aliphatic chain 3 1 - 3 out of 5