ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
49937240 | O=c1nc(Nc2ncccn2)[nH]c2c1cccc2 | Formula:C12H9N5O Mol: 239.23 Heavy atoms:18 Aromatic heavy atoms: 16 Fraction Csp3: 0.00 Rotatable bonds: 2 H-bond acceptors: 4 H-bond donors: 2 MR: 67.50 TPSA: 83.56 | ILOGP:1.15 XLOGP3: 1.17 WLOGP: 1.46 MLOGP: 1.35 Silicos ITLogP: 1.72 Consensus LogP: 1.37 | ESOL LogS:-2.59 Solubility(mg/ml): 0.620000 Solubility(mol/l):0.002590 Class:Soluble Ali LogS:-2.52 Solubility(mg/ml): 0.722000 Solubility(mol/l): 0.003020 Class:Soluble SilicosIT LogS:-5.07 Solubility(mg/ml): 0.002060 Solubility(mol/l): 0.000009 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.93 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.08 |