ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
9625356 | N#Cc1ccsc1NC(=O)c1ccno1 | Formula:C9H5N3O2S Mol: 219.22 Heavy atoms:15 Aromatic heavy atoms: 10 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 1 MR: 53.31 TPSA: 107.16 | ILOGP:1.43 XLOGP3: 1.82 WLOGP: 1.67 MLOGP: -0.28 Silicos ITLogP: 2.13 Consensus LogP: 1.35 | ESOL LogS:-2.64 Solubility(mg/ml): 0.501000 Solubility(mol/l):0.002290 Class:Soluble Ali LogS:-3.69 Solubility(mg/ml): 0.044700 Solubility(mol/l): 0.000204 Class:Soluble SilicosIT LogS:-3.12 Solubility(mg/ml): 0.167000 Solubility(mol/l): 0.000760 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.35 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.67 |