ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
64029043 | O=C(c1cn2c(n1)C=CC[C@@H]2C)Nc1[n-]ncn1 | Formula:C11H11N6O Mol: 243.24 Heavy atoms:18 Aromatic heavy atoms: 10 Fraction Csp3: 0.27 Rotatable bonds: 3 H-bond acceptors: 5 H-bond donors: 1 MR: 64.20 TPSA: 85.59 | ILOGP:0.32 XLOGP3: 0.77 WLOGP: 0.56 MLOGP: 0.33 Silicos ITLogP: 0.06 Consensus LogP: 0.41 | ESOL LogS:-2.05 Solubility(mg/ml): 2.190000 Solubility(mol/l):0.008990 Class:Soluble Ali LogS:-2.15 Solubility(mg/ml): 1.730000 Solubility(mol/l): 0.007120 Class:Soluble SilicosIT LogS:-2.20 Solubility(mg/ml): 1.550000 Solubility(mol/l): 0.006350 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.24 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 3.52 |