ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
42194216 | O=C(C[S@@](=O)c1ccccc1N)NC1CC1 | Formula:C11H14N2O2S Mol: 238.31 Heavy atoms:16 Aromatic heavy atoms: 6 Fraction Csp3: 0.36 Rotatable bonds: 5 H-bond acceptors: 2 H-bond donors: 2 MR: 63.37 TPSA: 91.40 | ILOGP:1.15 XLOGP3: 0.92 WLOGP: 1.47 MLOGP: 0.50 Silicos ITLogP: 0.34 Consensus LogP: 0.88 | ESOL LogS:-1.84 Solubility(mg/ml): 3.410000 Solubility(mol/l):0.014300 Class:Very soluble Ali LogS:-2.43 Solubility(mg/ml): 0.895000 Solubility(mol/l): 0.003760 Class:Soluble SilicosIT LogS:-3.07 Solubility(mg/ml): 0.204000 Solubility(mol/l): 0.000855 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.10 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 2.67 |