ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
65321927 | O=C(Nc1cccs1)Nc1scc(n1)C | Formula:C9H9N3OS2 Mol: 239.32 Heavy atoms:15 Aromatic heavy atoms: 10 Fraction Csp3: 0.11 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 2 MR: 63.68 TPSA: 110.50 | ILOGP:2.01 XLOGP3: 2.26 WLOGP: 2.78 MLOGP: 1.04 Silicos ITLogP: 3.08 Consensus LogP: 2.23 | ESOL LogS:-2.98 Solubility(mg/ml): 0.252000 Solubility(mol/l):0.001050 Class:Soluble Ali LogS:-4.22 Solubility(mg/ml): 0.014500 Solubility(mol/l): 0.000061 Class:Moderately soluble SilicosIT LogS:-3.53 Solubility(mg/ml): 0.071100 Solubility(mol/l): 0.000297 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.16 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.65 |