ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
40071197 | O=C(c1ccccn1)Nc1n[nH]cn1 | Formula:C8H7N5O Mol: 189.17 Heavy atoms:14 Aromatic heavy atoms: 11 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 2 MR: 48.39 TPSA: 83.56 | ILOGP:0.46 XLOGP3: 0.42 WLOGP: 0.26 MLOGP: -0.56 Silicos ITLogP: 0.60 Consensus LogP: 0.24 | ESOL LogS:-1.66 Solubility(mg/ml): 4.130000 Solubility(mol/l):0.021800 Class:Very soluble Ali LogS:-1.74 Solubility(mg/ml): 3.430000 Solubility(mol/l): 0.018100 Class:Very soluble SilicosIT LogS:-3.01 Solubility(mg/ml): 0.185000 Solubility(mol/l): 0.000977 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.16 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.75 |