ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
43191550 | CCOC(=O)Nc1nc2c([nH]1)ccc(c2)OC | Formula:C11H13N3O3 Mol: 235.24 Heavy atoms:17 Aromatic heavy atoms: 9 Fraction Csp3: 0.27 Rotatable bonds: 5 H-bond acceptors: 4 H-bond donors: 2 MR: 63.18 TPSA: 76.24 | ILOGP:1.22 XLOGP3: 1.20 WLOGP: 1.95 MLOGP: 0.93 Silicos ITLogP: 1.42 Consensus LogP: 1.35 | ESOL LogS:-2.12 Solubility(mg/ml): 1.800000 Solubility(mol/l):0.007650 Class:Soluble Ali LogS:-2.40 Solubility(mg/ml): 0.942000 Solubility(mol/l): 0.004000 Class:Soluble SilicosIT LogS:-3.58 Solubility(mg/ml): 0.062000 Solubility(mol/l): 0.000264 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.88 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.24 |