ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
7737841 | O=C(c1ccncc1)Nc1nn2c(s1)nnc2 | Formula:C9H6N6OS Mol: 246.25 Heavy atoms:17 Aromatic heavy atoms: 14 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 5 H-bond donors: 1 MR: 60.67 TPSA: 113.31 | ILOGP:0.82 XLOGP3: 0.36 WLOGP: 0.64 MLOGP: 0.16 Silicos ITLogP: 0.66 Consensus LogP: 0.53 | ESOL LogS:-2.00 Solubility(mg/ml): 2.430000 Solubility(mol/l):0.009890 Class:Soluble Ali LogS:-2.30 Solubility(mg/ml): 1.220000 Solubility(mol/l): 0.004960 Class:Soluble SilicosIT LogS:-2.76 Solubility(mg/ml): 0.427000 Solubility(mol/l): 0.001730 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.55 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.65 |