ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
88235034 | C[C@H](c1ccc(c(c1)F)C)NC(=O)c1n[nH]cc1 | Formula:C13H14FN3O Mol: 247.27 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.23 Rotatable bonds: 4 H-bond acceptors: 3 H-bond donors: 2 MR: 65.80 TPSA: 57.78 | ILOGP:1.60 XLOGP3: 2.19 WLOGP: 2.44 MLOGP: 1.87 Silicos ITLogP: 3.03 Consensus LogP: 2.23 | ESOL LogS:-2.94 Solubility(mg/ml): 0.283000 Solubility(mol/l):0.001150 Class:Soluble Ali LogS:-3.04 Solubility(mg/ml): 0.227000 Solubility(mol/l): 0.000918 Class:Soluble SilicosIT LogS:-4.86 Solubility(mg/ml): 0.003410 Solubility(mol/l): 0.000014 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.25 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.33 |