ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
97256710 | Cc1ccc2c(c1)c(n[nH]2)C(=O)Nc1n[nH]cn1 | Formula:C11H10N6O Mol: 242.24 Heavy atoms:18 Aromatic heavy atoms: 14 Fraction Csp3: 0.09 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 3 MR: 65.21 TPSA: 99.35 | ILOGP:0.48 XLOGP3: 1.48 WLOGP: 1.05 MLOGP: 0.48 Silicos ITLogP: 1.58 Consensus LogP: 1.01 | ESOL LogS:-2.65 Solubility(mg/ml): 0.540000 Solubility(mol/l):0.002230 Class:Soluble Ali LogS:-3.17 Solubility(mg/ml): 0.163000 Solubility(mol/l): 0.000671 Class:Soluble SilicosIT LogS:-4.29 Solubility(mg/ml): 0.012500 Solubility(mol/l): 0.000052 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.73 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.09 |