ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
48723483 | Fc1cccc(c1)CCNC(=O)c1n[nH]c(=O)[nH]1 | Formula:C11H11FN4O2 Mol: 250.23 Heavy atoms:18 Aromatic heavy atoms: 11 Fraction Csp3: 0.18 Rotatable bonds: 5 H-bond acceptors: 4 H-bond donors: 3 MR: 61.46 TPSA: 90.64 | ILOGP:1.48 XLOGP3: 0.96 WLOGP: 0.63 MLOGP: 0.83 Silicos ITLogP: 2.33 Consensus LogP: 1.25 | ESOL LogS:-2.12 Solubility(mg/ml): 1.910000 Solubility(mol/l):0.007610 Class:Soluble Ali LogS:-2.45 Solubility(mg/ml): 0.886000 Solubility(mol/l): 0.003540 Class:Soluble SilicosIT LogS:-4.38 Solubility(mg/ml): 0.010400 Solubility(mol/l): 0.000042 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.14 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 0 Synthetic Accessibility: 2.12 |