ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
38006998 | O=C(c1cc2c([nH]1)cccc2)NCc1c[nH]nc1 | Formula:C13H12N4O Mol: 240.26 Heavy atoms:18 Aromatic heavy atoms: 14 Fraction Csp3: 0.08 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 3 MR: 67.93 TPSA: 73.57 | ILOGP:0.95 XLOGP3: 1.85 WLOGP: 1.67 MLOGP: 0.76 Silicos ITLogP: 2.51 Consensus LogP: 1.55 | ESOL LogS:-2.81 Solubility(mg/ml): 0.375000 Solubility(mol/l):0.001560 Class:Soluble Ali LogS:-3.02 Solubility(mg/ml): 0.232000 Solubility(mol/l): 0.000964 Class:Soluble SilicosIT LogS:-5.05 Solubility(mg/ml): 0.002140 Solubility(mol/l): 0.000009 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: Yes CYP3A4: No Log kp: -6.45 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.75 |