ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
96171758 | O=C(C(C(F)(F)F)(O)O)Nc1ccccc1 | Formula:C9H8F3NO3 Mol: 235.16 Heavy atoms:16 Aromatic heavy atoms: 6 Fraction Csp3: 0.22 Rotatable bonds: 4 H-bond acceptors: 6 H-bond donors: 3 MR: 48.11 TPSA: 69.56 | ILOGP:0.65 XLOGP3: 0.83 WLOGP: 1.94 MLOGP: 0.97 Silicos ITLogP: 0.81 Consensus LogP: 1.04 | ESOL LogS:-1.83 Solubility(mg/ml): 3.440000 Solubility(mol/l):0.014600 Class:Very soluble Ali LogS:-1.87 Solubility(mg/ml): 3.150000 Solubility(mol/l): 0.013400 Class:Very soluble SilicosIT LogS:-2.19 Solubility(mg/ml): 1.520000 Solubility(mol/l): 0.006460 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.15 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 1.24 |