ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
97136353 | O=C(c1ccnn1C)Nc1n[nH]c(n1)C1CCC1 | Formula:C11H14N6O Mol: 246.27 Heavy atoms:18 Aromatic heavy atoms: 10 Fraction Csp3: 0.45 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 2 MR: 64.92 TPSA: 88.49 | ILOGP:1.04 XLOGP3: 0.92 WLOGP: 0.87 MLOGP: 0.41 Silicos ITLogP: 0.71 Consensus LogP: 0.79 | ESOL LogS:-2.09 Solubility(mg/ml): 1.990000 Solubility(mol/l):0.008060 Class:Soluble Ali LogS:-2.36 Solubility(mg/ml): 1.060000 Solubility(mol/l): 0.004320 Class:Soluble SilicosIT LogS:-2.67 Solubility(mg/ml): 0.533000 Solubility(mol/l): 0.002160 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.15 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.59 |