ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
32726043 | O=C(c1cc2c([nH]1)cccc2)Nc1ccncc1 | Formula:C14H11N3O Mol: 237.26 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 2 MR: 70.31 TPSA: 57.78 | ILOGP:1.62 XLOGP3: 2.55 WLOGP: 2.62 MLOGP: 1.27 Silicos ITLogP: 2.63 Consensus LogP: 2.14 | ESOL LogS:-3.34 Solubility(mg/ml): 0.109000 Solubility(mol/l):0.000461 Class:Soluble Ali LogS:-3.41 Solubility(mg/ml): 0.092200 Solubility(mol/l): 0.000388 Class:Soluble SilicosIT LogS:-5.43 Solubility(mg/ml): 0.000871 Solubility(mol/l): 0.000004 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -5.94 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.74 |