OPERA Models: LogP: Octanol-Water

Benzylimidobis(p-methoxyphenyl)methane
524-96-9 | DTXSID50200417

Image not found

Model Results

Predicted value: 4.11

Global applicability domain: Inside

Local applicability domain index: 0.49

Confidence level: 0.7

Model Performance

Scatterplot
Histogram
QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.85 0.69 0.86 0.67 0.86 0.78

Nearest Neighbors from the Training Set

  • Benflurone

    Measured: 4.32
    Predicted: 4.07
  • 2,3-Di(4-MeO-phenyl)-5,6-diMe-pyrazine

    Measured: 4.10
    Predicted: 4.17
  • 2,3-Di(4-methoxyphenyl)-5-Me-pyrazine

    Measured: 3.66
    Predicted: 3.82
  • CP-99,994, 5-(3-FURYL) ANALOG

    Measured: 4.20
    Predicted: 4.23
  • 2,3-Di(4-methoxyphenyl)-5-Et-pyrazine

    Measured: 4.22
    Predicted: 4.22