ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
89765108 | O=C(Nc1n[nH]cc1)Nc1cc(F)cc(c1)F | Formula:C10H8F2N4O Mol: 238.19 Heavy atoms:17 Aromatic heavy atoms: 11 Fraction Csp3: 0.00 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 3 MR: 57.23 TPSA: 69.81 | ILOGP:1.57 XLOGP3: 1.31 WLOGP: 2.79 MLOGP: 2.11 Silicos ITLogP: 1.65 Consensus LogP: 1.89 | ESOL LogS:-2.36 Solubility(mg/ml): 1.050000 Solubility(mol/l):0.004400 Class:Soluble Ali LogS:-2.38 Solubility(mg/ml): 1.000000 Solubility(mol/l): 0.004200 Class:Soluble SilicosIT LogS:-4.37 Solubility(mg/ml): 0.010200 Solubility(mol/l): 0.000043 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.82 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.16 |