ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
74330435 | Nc1cnc2c(c1)[nH]c(n2)c1ccc(c(c1)F)F | Formula:C12H8F2N4 Mol: 246.22 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 1 H-bond acceptors: 4 H-bond donors: 2 MR: 63.65 TPSA: 67.59 | ILOGP:1.21 XLOGP3: 1.93 WLOGP: 3.33 MLOGP: 2.29 Silicos ITLogP: 3.08 Consensus LogP: 2.37 | ESOL LogS:-3.13 Solubility(mg/ml): 0.181000 Solubility(mol/l):0.000736 Class:Soluble Ali LogS:-2.97 Solubility(mg/ml): 0.262000 Solubility(mol/l): 0.001060 Class:Soluble SilicosIT LogS:-5.26 Solubility(mg/ml): 0.001350 Solubility(mol/l): 0.000005 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: Yes CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.43 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.07 |