ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
59371981 | [O-]C1=NC(=NC(=O)C1)Nc1nc2c([nH]1)cccc2 | Formula:C11H8N5O2 Mol: 242.21 Heavy atoms:18 Aromatic heavy atoms: 9 Fraction Csp3: 0.09 Rotatable bonds: 2 H-bond acceptors: 5 H-bond donors: 2 MR: 71.56 TPSA: 105.56 | ILOGP:0.71 XLOGP3: 0.69 WLOGP: 0.14 MLOGP: 0.52 Silicos ITLogP: 1.90 Consensus LogP: 0.79 | ESOL LogS:-2.01 Solubility(mg/ml): 2.340000 Solubility(mol/l):0.009670 Class:Soluble Ali LogS:-2.48 Solubility(mg/ml): 0.795000 Solubility(mol/l): 0.003280 Class:Soluble SilicosIT LogS:-3.46 Solubility(mg/ml): 0.084200 Solubility(mol/l): 0.000348 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.29 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 3.13 |