ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
26258239 | Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1[n-]ncn1 | Formula:C11H7FN5O Mol: 244.20 Heavy atoms:18 Aromatic heavy atoms: 14 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 5 H-bond donors: 2 MR: 61.38 TPSA: 83.56 | ILOGP:-0.39 XLOGP3: 1.72 WLOGP: 1.54 MLOGP: 1.29 Silicos ITLogP: 2.05 Consensus LogP: 1.24 | ESOL LogS:-2.82 Solubility(mg/ml): 0.374000 Solubility(mol/l):0.001530 Class:Soluble Ali LogS:-3.09 Solubility(mg/ml): 0.198000 Solubility(mol/l): 0.000811 Class:Soluble SilicosIT LogS:-4.55 Solubility(mg/ml): 0.006850 Solubility(mol/l): 0.000028 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.57 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.96 |