ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
51072547 | Clc1cccc(n1)C(=O)Nc1cccnc1 | Formula:C11H8ClN3O Mol: 233.65 Heavy atoms:16 Aromatic heavy atoms: 12 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 1 MR: 61.26 TPSA: 54.88 | ILOGP:2.09 XLOGP3: 1.91 WLOGP: 2.19 MLOGP: 0.88 Silicos ITLogP: 2.16 Consensus LogP: 1.85 | ESOL LogS:-2.85 Solubility(mg/ml): 0.331000 Solubility(mol/l):0.001420 Class:Soluble Ali LogS:-2.69 Solubility(mg/ml): 0.482000 Solubility(mol/l): 0.002060 Class:Soluble SilicosIT LogS:-4.79 Solubility(mg/ml): 0.003760 Solubility(mol/l): 0.000016 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.37 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 1 Leadlikeness: 1 Synthetic Accessibility: 2.12 |