ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
26462377 | Fc1ccc2c(c1)[nH]c(n2)[C@@H](c1ccccc1)O | Formula:C14H11FN2O Mol: 242.25 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.07 Rotatable bonds: 2 H-bond acceptors: 3 H-bond donors: 2 MR: 66.67 TPSA: 48.91 | ILOGP:0.77 XLOGP3: 2.43 WLOGP: 2.88 MLOGP: 2.32 Silicos ITLogP: 3.51 Consensus LogP: 2.38 | ESOL LogS:-3.36 Solubility(mg/ml): 0.106000 Solubility(mol/l):0.000439 Class:Soluble Ali LogS:-3.10 Solubility(mg/ml): 0.192000 Solubility(mol/l): 0.000794 Class:Soluble SilicosIT LogS:-5.19 Solubility(mg/ml): 0.001570 Solubility(mol/l): 0.000007 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: No Log kp: -6.05 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.60 |