ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
23143278 | O=C(Cc1ccccc1Cl)Nc1[n-]ncn1 | Formula:C10H8ClN4O Mol: 235.65 Heavy atoms:16 Aromatic heavy atoms: 11 Fraction Csp3: 0.10 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 1 MR: 59.16 TPSA: 67.77 | ILOGP:0.89 XLOGP3: 1.72 WLOGP: 1.08 MLOGP: 1.58 Silicos ITLogP: 2.06 Consensus LogP: 1.46 | ESOL LogS:-2.63 Solubility(mg/ml): 0.553000 Solubility(mol/l):0.002350 Class:Soluble Ali LogS:-2.76 Solubility(mg/ml): 0.410000 Solubility(mol/l): 0.001740 Class:Soluble SilicosIT LogS:-4.41 Solubility(mg/ml): 0.009210 Solubility(mol/l): 0.000039 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.52 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.95 |