ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
57517779 | [O-]C(=O)C[C@H](c1ccccc1Cl)[NH+](C)C | Formula:C11H14ClNO2 Mol: 227.69 Heavy atoms:15 Aromatic heavy atoms: 6 Fraction Csp3: 0.36 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 1 MR: 59.63 TPSA: 44.57 | ILOGP:1.93 XLOGP3: -0.36 WLOGP: -0.66 MLOGP: -1.44 Silicos ITLogP: 1.87 Consensus LogP: 0.27 | ESOL LogS:-1.06 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.087700 Class:Very soluble Ali LogS:-0.11 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.770000 Class:Very soluble SilicosIT LogS:-2.96 Solubility(mg/ml): 0.250000 Solubility(mol/l): 0.001100 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.94 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.06 |