ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
71779713 | CC[C@@H]1CCCC(=C1[O-])C(=O)Nc1ccccc1 | Formula:C15H18NO2 Mol: 244.31 Heavy atoms:18 Aromatic heavy atoms: 6 Fraction Csp3: 0.40 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 1 MR: 71.45 TPSA: 52.16 | ILOGP:2.74 XLOGP3: 3.43 WLOGP: 3.33 MLOGP: 2.15 Silicos ITLogP: 2.62 Consensus LogP: 2.85 | ESOL LogS:-3.50 Solubility(mg/ml): 0.077600 Solubility(mol/l):0.000317 Class:Soluble Ali LogS:-4.21 Solubility(mg/ml): 0.015200 Solubility(mol/l): 0.000062 Class:Moderately soluble SilicosIT LogS:-4.03 Solubility(mg/ml): 0.023000 Solubility(mol/l): 0.000094 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: Yes CYP2D6: No CYP3A4: No Log kp: -5.35 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.56 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.92 |