ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
18128341 | Clc1ccc(cc1)C(=O)Nc1n[nH]cn1 | Formula:C9H7ClN4O Mol: 222.63 Heavy atoms:15 Aromatic heavy atoms: 11 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 55.61 TPSA: 70.67 | ILOGP:0.74 XLOGP3: 1.78 WLOGP: 1.52 MLOGP: 1.15 Silicos ITLogP: 1.73 Consensus LogP: 1.38 | ESOL LogS:-2.69 Solubility(mg/ml): 0.458000 Solubility(mol/l):0.002060 Class:Soluble Ali LogS:-2.88 Solubility(mg/ml): 0.292000 Solubility(mol/l): 0.001310 Class:Soluble SilicosIT LogS:-4.00 Solubility(mg/ml): 0.022100 Solubility(mol/l): 0.000099 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.39 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.66 |