ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
47343355 | O=C(C1CCC1)Nc1nnc([nH]1)c1ccccn1 | Formula:C12H13N5O Mol: 243.26 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.33 Rotatable bonds: 4 H-bond acceptors: 4 H-bond donors: 2 MR: 66.23 TPSA: 83.56 | ILOGP:-0.02 XLOGP3: 0.61 WLOGP: 1.41 MLOGP: 0.64 Silicos ITLogP: 1.72 Consensus LogP: 0.87 | ESOL LogS:-1.92 Solubility(mg/ml): 2.920000 Solubility(mol/l):0.012000 Class:Very soluble Ali LogS:-1.94 Solubility(mg/ml): 2.800000 Solubility(mol/l): 0.011500 Class:Very soluble SilicosIT LogS:-3.89 Solubility(mg/ml): 0.031100 Solubility(mol/l): 0.000128 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.35 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.40 |