Compound | Vsa_base | TPSA | Log D | Observed Log PS | PredictedLog PS | Fold of Error |
---|---|---|---|---|---|---|
Antipyrine | 0.00 | 23.6 | 0.270 | -2.0 | -2.3 | 2 |
2-Propanol | 0.00 | 20.2 | 0.160 | -1.7 | -2.3 | 4 |
95005 | 0.00 | 58.6 | 1.30 | -2.0 | -2.4 | 3 |
Erythritol | 0.00 | 80.9 | -3.00 | -4.6 | -3.7 | 8 |
Mannitol | 0.00 | 121 | -4.67 | -5.0 | -4.5 | 3 |
Sucrose | 0.00 | 190 | -3.85 | -5.3 | -4.9 | 3 |
Thymine | 0.00 | 58.2 | -0.120 | -1.9 | -2.7 | 6 |
Ethanol | 0.00 | 20.2 | -0.190 | -1.5 | -2.4 | 8 |
Estradiol | 0.00 | 40.5 | 4.13 | -0.80 | -1.5 | 5 |
Thiourea | 0.00 | 84.1 | -1.05 | -3.4 | -3.2 | 1 |
Ethylene glycol | 0.00 | 40.5 | -1.69 | -3.0 | -3.0 | 1 |
Urea | 0.00 | 69.1 | -2.11 | -3.8 | -3.4 | 3 |
95005, N-(3-hydroxy-4-phenoxy-butyl)-isobutyramide.