ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
63216010 | Nc1nccnc1c1nc2c([nH]1)cccc2F | Formula:C11H8FN5 Mol: 229.21 Heavy atoms:17 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 1 H-bond acceptors: 4 H-bond donors: 2 MR: 61.48 TPSA: 80.48 | ILOGP:1.49 XLOGP3: 0.80 WLOGP: 2.17 MLOGP: 0.78 Silicos ITLogP: 2.15 Consensus LogP: 1.48 | ESOL LogS:-2.35 Solubility(mg/ml): 1.020000 Solubility(mol/l):0.004450 Class:Soluble Ali LogS:-2.07 Solubility(mg/ml): 1.940000 Solubility(mol/l): 0.008480 Class:Soluble SilicosIT LogS:-4.61 Solubility(mg/ml): 0.005610 Solubility(mol/l): 0.000025 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: Yes CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -7.13 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.40 |