ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
95940279 | O=C(c1cnccn1)Nc1[n-]nc(n1)C1CCC1 | Formula:C11H11N6O Mol: 243.24 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.36 Rotatable bonds: 4 H-bond acceptors: 6 H-bond donors: 1 MR: 62.43 TPSA: 93.55 | ILOGP:-0.29 XLOGP3: 0.47 WLOGP: 0.55 MLOGP: -0.04 Silicos ITLogP: 1.20 Consensus LogP: 0.38 | ESOL LogS:-1.83 Solubility(mg/ml): 3.580000 Solubility(mol/l):0.014700 Class:Very soluble Ali LogS:-2.00 Solubility(mg/ml): 2.410000 Solubility(mol/l): 0.009920 Class:Soluble SilicosIT LogS:-3.52 Solubility(mg/ml): 0.073500 Solubility(mol/l): 0.000302 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.45 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.62 |