ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
572766 | N#Cc1[nH]c(nc1C#N)NC(=O)c1cccs1 | Formula:C10H5N5OS Mol: 243.24 Heavy atoms:17 Aromatic heavy atoms: 10 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 2 MR: 60.11 TPSA: 133.60 | ILOGP:0.09 XLOGP3: 1.35 WLOGP: 1.28 MLOGP: -0.86 Silicos ITLogP: 2.26 Consensus LogP: 0.82 | ESOL LogS:-2.44 Solubility(mg/ml): 0.892000 Solubility(mol/l):0.003670 Class:Soluble Ali LogS:-3.76 Solubility(mg/ml): 0.042500 Solubility(mol/l): 0.000175 Class:Soluble SilicosIT LogS:-3.20 Solubility(mg/ml): 0.153000 Solubility(mol/l): 0.000630 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.83 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 1 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.22 |