ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
58688165 | Fc1cccc(c1)CNC(=O)c1cnc(cn1)C | Formula:C13H12FN3O Mol: 245.25 Heavy atoms:18 Aromatic heavy atoms: 12 Fraction Csp3: 0.15 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 1 MR: 64.44 TPSA: 54.88 | ILOGP:2.48 XLOGP3: 1.39 WLOGP: 2.12 MLOGP: 1.02 Silicos ITLogP: 2.77 Consensus LogP: 1.96 | ESOL LogS:-2.47 Solubility(mg/ml): 0.839000 Solubility(mol/l):0.003420 Class:Soluble Ali LogS:-2.15 Solubility(mg/ml): 1.750000 Solubility(mol/l): 0.007140 Class:Soluble SilicosIT LogS:-5.25 Solubility(mg/ml): 0.001390 Solubility(mol/l): 0.000006 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.81 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.99 |