ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
37564970 | CCOC(=O)CNC(=O)c1cc2c([nH]1)cccc2 | Formula:C13H14N2O3 Mol: 246.26 Heavy atoms:18 Aromatic heavy atoms: 9 Fraction Csp3: 0.23 Rotatable bonds: 6 H-bond acceptors: 3 H-bond donors: 2 MR: 67.00 TPSA: 71.19 | ILOGP:1.49 XLOGP3: 2.35 WLOGP: 1.46 MLOGP: 0.87 Silicos ITLogP: 2.20 Consensus LogP: 1.67 | ESOL LogS:-2.82 Solubility(mg/ml): 0.372000 Solubility(mol/l):0.001510 Class:Soluble Ali LogS:-3.48 Solubility(mg/ml): 0.080700 Solubility(mol/l): 0.000328 Class:Soluble SilicosIT LogS:-4.18 Solubility(mg/ml): 0.016400 Solubility(mol/l): 0.000067 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.13 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.86 |