ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
75553601 | O=C(c1ccnc2c1cccc2)Nc1n[nH]cn1 | Formula:C12H9N5O Mol: 239.23 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 2 MR: 65.90 TPSA: 83.56 | ILOGP:0.76 XLOGP3: 1.42 WLOGP: 1.41 MLOGP: 0.71 Silicos ITLogP: 1.55 Consensus LogP: 1.17 | ESOL LogS:-2.64 Solubility(mg/ml): 0.552000 Solubility(mol/l):0.002310 Class:Soluble Ali LogS:-2.78 Solubility(mg/ml): 0.397000 Solubility(mol/l): 0.001660 Class:Soluble SilicosIT LogS:-4.69 Solubility(mg/ml): 0.004880 Solubility(mol/l): 0.000020 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.75 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.83 |