ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
77368241 | [O-]C(=O)C[C@](c1ccc2c(c1)nc(o2)C)([NH3+])C | Formula:C12H14N2O3 Mol: 234.25 Heavy atoms:17 Aromatic heavy atoms: 9 Fraction Csp3: 0.33 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 1 MR: 62.04 TPSA: 93.80 | ILOGP:1.81 XLOGP3: -1.54 WLOGP: -0.38 MLOGP: -3.00 Silicos ITLogP: 1.57 Consensus LogP: -0.31 | ESOL LogS:-0.52 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.305000 Class:Very soluble Ali LogS:0.08 Solubility(mg/ml): 9.999999 Solubility(mol/l): 1.190000 Class:Highly soluble SilicosIT LogS:-3.16 Solubility(mg/ml): 0.161000 Solubility(mol/l): 0.000685 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.82 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.77 |