ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
496162 | Oc1ccccc1Sc1ccccc1O | Formula:C12H10O2S Mol: 218.27 Heavy atoms:15 Aromatic heavy atoms: 12 Fraction Csp3: 0.00 Rotatable bonds: 2 H-bond acceptors: 2 H-bond donors: 2 MR: 61.05 TPSA: 65.76 | ILOGP:2.05 XLOGP3: 3.28 WLOGP: 3.25 MLOGP: 2.95 Silicos ITLogP: 2.62 Consensus LogP: 2.83 | ESOL LogS:-3.72 Solubility(mg/ml): 0.041600 Solubility(mol/l):0.000191 Class:Soluble Ali LogS:-4.34 Solubility(mg/ml): 0.010100 Solubility(mol/l): 0.000046 Class:Moderately soluble SilicosIT LogS:-3.88 Solubility(mg/ml): 0.028600 Solubility(mol/l): 0.000131 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: Yes CYP2D6: No CYP3A4: No Log kp: -5.30 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.08 |