ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
25269241 | CNC(=O)CNC(=O)c1cc2c([nH]1)ccc(c2)F | Formula:C12H12FN3O2 Mol: 249.24 Heavy atoms:18 Aromatic heavy atoms: 9 Fraction Csp3: 0.17 Rotatable bonds: 5 H-bond acceptors: 3 H-bond donors: 3 MR: 63.87 TPSA: 73.99 | ILOGP:1.23 XLOGP3: 1.11 WLOGP: 1.20 MLOGP: 0.60 Silicos ITLogP: 1.94 Consensus LogP: 1.22 | ESOL LogS:-2.12 Solubility(mg/ml): 1.870000 Solubility(mol/l):0.007510 Class:Soluble Ali LogS:-2.26 Solubility(mg/ml): 1.380000 Solubility(mol/l): 0.005540 Class:Soluble SilicosIT LogS:-4.36 Solubility(mg/ml): 0.010900 Solubility(mol/l): 0.000044 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.03 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.85 |