ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
83376817 | O=c1[nH]c(NCc2cccs2)nc2c1nc[nH]2 | Formula:C10H9N5OS Mol: 247.28 Heavy atoms:17 Aromatic heavy atoms: 14 Fraction Csp3: 0.10 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 3 MR: 66.18 TPSA: 114.70 | ILOGP:0.79 XLOGP3: 0.54 WLOGP: 0.98 MLOGP: 0.18 Silicos ITLogP: 2.84 Consensus LogP: 1.07 | ESOL LogS:-2.12 Solubility(mg/ml): 1.860000 Solubility(mol/l):0.007500 Class:Soluble Ali LogS:-2.52 Solubility(mg/ml): 0.746000 Solubility(mol/l): 0.003020 Class:Soluble SilicosIT LogS:-4.32 Solubility(mg/ml): 0.011800 Solubility(mol/l): 0.000048 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.42 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.29 |