ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
19271521 | Cc1csc(n1)NC(=O)c1cccc(c1N)C | Formula:C12H13N3OS Mol: 247.32 Heavy atoms:17 Aromatic heavy atoms: 11 Fraction Csp3: 0.17 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 2 MR: 70.66 TPSA: 96.25 | ILOGP:1.86 XLOGP3: 2.76 WLOGP: 2.41 MLOGP: 1.33 Silicos ITLogP: 2.95 Consensus LogP: 2.26 | ESOL LogS:-3.39 Solubility(mg/ml): 0.100000 Solubility(mol/l):0.000405 Class:Soluble Ali LogS:-4.44 Solubility(mg/ml): 0.009050 Solubility(mol/l): 0.000037 Class:Moderately soluble SilicosIT LogS:-4.23 Solubility(mg/ml): 0.014500 Solubility(mol/l): 0.000059 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -5.85 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 2.34 |