ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
36394407 | N#Cc1ccsc1NC(=O)c1ccc(o1)C | Formula:C11H8N2O2S Mol: 232.26 Heavy atoms:16 Aromatic heavy atoms: 10 Fraction Csp3: 0.09 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 1 MR: 60.48 TPSA: 94.27 | ILOGP:2.15 XLOGP3: 2.84 WLOGP: 2.58 MLOGP: 0.34 Silicos ITLogP: 3.12 Consensus LogP: 2.21 | ESOL LogS:-3.33 Solubility(mg/ml): 0.108000 Solubility(mol/l):0.000464 Class:Soluble Ali LogS:-4.48 Solubility(mg/ml): 0.007730 Solubility(mol/l): 0.000033 Class:Moderately soluble SilicosIT LogS:-3.88 Solubility(mg/ml): 0.030700 Solubility(mol/l): 0.000132 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: Yes CYP2D6: No CYP3A4: No Log kp: -5.70 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.78 |