ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
63202524 | O=C(Nc1cc(F)ccc1N)Nc1ccccc1 | Formula:C13H12FN3O Mol: 245.25 Heavy atoms:18 Aromatic heavy atoms: 12 Fraction Csp3: 0.00 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 3 MR: 69.53 TPSA: 67.15 | ILOGP:1.93 XLOGP3: 1.90 WLOGP: 3.10 MLOGP: 2.76 Silicos ITLogP: 1.49 Consensus LogP: 2.24 | ESOL LogS:-2.79 Solubility(mg/ml): 0.401000 Solubility(mol/l):0.001630 Class:Soluble Ali LogS:-2.93 Solubility(mg/ml): 0.286000 Solubility(mol/l): 0.001170 Class:Soluble SilicosIT LogS:-4.89 Solubility(mg/ml): 0.003140 Solubility(mol/l): 0.000013 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: Yes CYP2D6: No CYP3A4: No Log kp: -6.45 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 2.17 |