ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
57846619 | O=C(c1cc2c([nH]1)cccc2)Nc1[n-]ncn1 | Formula:C11H8N5O Mol: 226.21 Heavy atoms:17 Aromatic heavy atoms: 14 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 2 MR: 61.42 TPSA: 83.56 | ILOGP:0.37 XLOGP3: 1.61 WLOGP: 0.98 MLOGP: 0.88 Silicos ITLogP: 1.64 Consensus LogP: 1.09 | ESOL LogS:-2.67 Solubility(mg/ml): 0.486000 Solubility(mol/l):0.002150 Class:Soluble Ali LogS:-2.98 Solubility(mg/ml): 0.239000 Solubility(mol/l): 0.001060 Class:Soluble SilicosIT LogS:-4.27 Solubility(mg/ml): 0.012000 Solubility(mol/l): 0.000053 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.54 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.85 |