ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
71790011 | Clc1cc2[nH]c(nc2cc1F)c1nccnc1 | Formula:C11H6ClFN4 Mol: 248.64 Heavy atoms:17 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 1 H-bond acceptors: 4 H-bond donors: 1 MR: 62.09 TPSA: 54.46 | ILOGP:1.87 XLOGP3: 1.77 WLOGP: 3.23 MLOGP: 1.48 Silicos ITLogP: 3.51 Consensus LogP: 2.37 | ESOL LogS:-3.08 Solubility(mg/ml): 0.205000 Solubility(mol/l):0.000825 Class:Soluble Ali LogS:-2.53 Solubility(mg/ml): 0.731000 Solubility(mol/l): 0.002940 Class:Soluble SilicosIT LogS:-5.58 Solubility(mg/ml): 0.000648 Solubility(mol/l): 0.000003 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: Yes CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -6.56 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.38 |