ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
65372302 | n1ncn(c1)Cc1ccccc1n1ncnc1 | Formula:C11H10N6 Mol: 226.24 Heavy atoms:17 Aromatic heavy atoms: 16 Fraction Csp3: 0.09 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 0 MR: 60.69 TPSA: 61.42 | ILOGP:1.55 XLOGP3: 0.76 WLOGP: 0.91 MLOGP: 0.78 Silicos ITLogP: 0.29 Consensus LogP: 0.86 | ESOL LogS:-2.22 Solubility(mg/ml): 1.360000 Solubility(mol/l):0.006030 Class:Soluble Ali LogS:-1.63 Solubility(mg/ml): 5.310000 Solubility(mol/l): 0.023500 Class:Very soluble SilicosIT LogS:-3.12 Solubility(mg/ml): 0.170000 Solubility(mol/l): 0.000752 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.14 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.99 |