ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
2642309 | N#Cc1ccsc1NC(=O)c1ccco1 | Formula:C10H6N2O2S Mol: 218.23 Heavy atoms:15 Aromatic heavy atoms: 10 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 1 MR: 55.51 TPSA: 94.27 | ILOGP:1.73 XLOGP3: 2.44 WLOGP: 2.27 MLOGP: 0.04 Silicos ITLogP: 2.64 Consensus LogP: 1.83 | ESOL LogS:-3.03 Solubility(mg/ml): 0.206000 Solubility(mol/l):0.000943 Class:Soluble Ali LogS:-4.06 Solubility(mg/ml): 0.018900 Solubility(mol/l): 0.000087 Class:Moderately soluble SilicosIT LogS:-3.49 Solubility(mg/ml): 0.070500 Solubility(mol/l): 0.000323 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: Yes CYP2D6: No CYP3A4: No Log kp: -5.90 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.63 |