ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
4999788 | FC(c1ccccc1CNc1ncn[nH]1)(F)F | Formula:C10H9F3N4 Mol: 242.20 Heavy atoms:17 Aromatic heavy atoms: 11 Fraction Csp3: 0.20 Rotatable bonds: 4 H-bond acceptors: 5 H-bond donors: 2 MR: 55.18 TPSA: 53.60 | ILOGP:1.30 XLOGP3: 2.68 WLOGP: 3.25 MLOGP: 2.22 Silicos ITLogP: 2.55 Consensus LogP: 2.40 | ESOL LogS:-3.24 Solubility(mg/ml): 0.138000 Solubility(mol/l):0.000569 Class:Soluble Ali LogS:-3.46 Solubility(mg/ml): 0.084400 Solubility(mol/l): 0.000348 Class:Soluble SilicosIT LogS:-4.73 Solubility(mg/ml): 0.004520 Solubility(mol/l): 0.000019 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -5.87 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.88 |