ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
12946727 | Cn1ccc(n1)NC(=O)c1cc2c([nH]1)cccc2 | Formula:C13H12N4O Mol: 240.26 Heavy atoms:18 Aromatic heavy atoms: 14 Fraction Csp3: 0.08 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 2 MR: 69.56 TPSA: 62.71 | ILOGP:0.94 XLOGP3: 1.86 WLOGP: 1.96 MLOGP: 1.43 Silicos ITLogP: 1.60 Consensus LogP: 1.56 | ESOL LogS:-2.88 Solubility(mg/ml): 0.317000 Solubility(mol/l):0.001320 Class:Soluble Ali LogS:-2.80 Solubility(mg/ml): 0.382000 Solubility(mol/l): 0.001590 Class:Soluble SilicosIT LogS:-4.21 Solubility(mg/ml): 0.014900 Solubility(mol/l): 0.000062 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.44 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.01 |