ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
20878000 | Nc1nnnn1NCc1ccc2c(c1)OCCO2 | Formula:C10H12N6O2 Mol: 248.24 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.30 Rotatable bonds: 3 H-bond acceptors: 5 H-bond donors: 2 MR: 62.62 TPSA: 100.11 | ILOGP:1.74 XLOGP3: 0.84 WLOGP: -0.56 MLOGP: 1.12 Silicos ITLogP: -0.59 Consensus LogP: 0.51 | ESOL LogS:-2.16 Solubility(mg/ml): 1.710000 Solubility(mol/l):0.006880 Class:Soluble Ali LogS:-2.53 Solubility(mg/ml): 0.741000 Solubility(mol/l): 0.002980 Class:Soluble SilicosIT LogS:-2.32 Solubility(mg/ml): 1.190000 Solubility(mol/l): 0.004810 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: Yes CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.22 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.65 |