ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
77936348 | O=C(c1cc2c([nH]1)scn2)Nc1ccccc1 | Formula:C12H9N3OS Mol: 243.28 Heavy atoms:17 Aromatic heavy atoms: 14 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 2 MR: 68.18 TPSA: 86.02 | ILOGP:1.93 XLOGP3: 2.67 WLOGP: 2.69 MLOGP: 1.04 Silicos ITLogP: 3.28 Consensus LogP: 2.32 | ESOL LogS:-3.44 Solubility(mg/ml): 0.088000 Solubility(mol/l):0.000362 Class:Soluble Ali LogS:-4.13 Solubility(mg/ml): 0.018100 Solubility(mol/l): 0.000074 Class:Moderately soluble SilicosIT LogS:-4.70 Solubility(mg/ml): 0.004810 Solubility(mol/l): 0.000020 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: Yes CYP2D6: Yes CYP3A4: Yes Log kp: -5.89 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.36 |