ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
34139605 | O=C(Nc1ccc(cc1F)F)Oc1ccccc1 | Formula:C13H9F2NO2 Mol: 249.21 Heavy atoms:18 Aromatic heavy atoms: 12 Fraction Csp3: 0.00 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 1 MR: 62.27 TPSA: 38.33 | ILOGP:2.58 XLOGP3: 3.32 WLOGP: 4.23 MLOGP: 3.74 Silicos ITLogP: 2.95 Consensus LogP: 3.36 | ESOL LogS:-3.71 Solubility(mg/ml): 0.049000 Solubility(mol/l):0.000197 Class:Soluble Ali LogS:-3.80 Solubility(mg/ml): 0.039400 Solubility(mol/l): 0.000158 Class:Soluble SilicosIT LogS:-5.22 Solubility(mg/ml): 0.001510 Solubility(mol/l): 0.000006 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -5.46 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.24 |