ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
19849865 | O=C(Nc1[n-]ncn1)CSc1nncn1C | Formula:C7H8N7OS Mol: 238.25 Heavy atoms:16 Aromatic heavy atoms: 10 Fraction Csp3: 0.29 Rotatable bonds: 5 H-bond acceptors: 6 H-bond donors: 1 MR: 55.75 TPSA: 123.78 | ILOGP:-0.36 XLOGP3: -0.43 WLOGP: -0.90 MLOGP: -0.81 Silicos ITLogP: -0.41 Consensus LogP: -0.58 | ESOL LogS:-1.18 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.066300 Class:Very soluble Ali LogS:-1.70 Solubility(mg/ml): 4.710000 Solubility(mol/l): 0.019800 Class:Very soluble SilicosIT LogS:-1.93 Solubility(mg/ml): 2.800000 Solubility(mol/l): 0.011700 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.06 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.55 |