ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
71261270 | Fc1ccc(c(c1)F)Nc1ncc(c(=O)[nH]1)F | Formula:C10H6F3N3O Mol: 241.17 Heavy atoms:17 Aromatic heavy atoms: 12 Fraction Csp3: 0.00 Rotatable bonds: 2 H-bond acceptors: 5 H-bond donors: 2 MR: 54.28 TPSA: 57.78 | ILOGP:1.51 XLOGP3: 1.17 WLOGP: 3.19 MLOGP: 2.09 Silicos ITLogP: 3.03 Consensus LogP: 2.20 | ESOL LogS:-2.46 Solubility(mg/ml): 0.831000 Solubility(mol/l):0.003450 Class:Soluble Ali LogS:-1.98 Solubility(mg/ml): 2.530000 Solubility(mol/l): 0.010500 Class:Very soluble SilicosIT LogS:-4.97 Solubility(mg/ml): 0.002570 Solubility(mol/l): 0.000011 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.94 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.10 |