ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
57496477 | [O-]C(=O)C[C@H](c1ccccc1F)[NH+](C)C | Formula:C11H14FNO2 Mol: 211.23 Heavy atoms:15 Aromatic heavy atoms: 6 Fraction Csp3: 0.36 Rotatable bonds: 4 H-bond acceptors: 3 H-bond donors: 1 MR: 54.58 TPSA: 44.57 | ILOGP:2.06 XLOGP3: -0.89 WLOGP: -0.75 MLOGP: -1.58 Silicos ITLogP: 1.65 Consensus LogP: 0.10 | ESOL LogS:-0.62 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.239000 Class:Very soluble Ali LogS:0.44 Solubility(mg/ml): 9.999999 Solubility(mol/l): 2.730000 Class:Highly soluble SilicosIT LogS:-2.62 Solubility(mg/ml): 0.506000 Solubility(mol/l): 0.002390 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.22 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.15 |