ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
65467308 | c1ccc(cc1)C(c1ncc[nH]1)c1ccccc1 | Formula:C16H14N2 Mol: 234.30 Heavy atoms:18 Aromatic heavy atoms: 17 Fraction Csp3: 0.06 Rotatable bonds: 3 H-bond acceptors: 1 H-bond donors: 1 MR: 72.53 TPSA: 28.68 | ILOGP:2.09 XLOGP3: 3.47 WLOGP: 3.59 MLOGP: 2.74 Silicos ITLogP: 4.16 Consensus LogP: 3.21 | ESOL LogS:-3.98 Solubility(mg/ml): 0.024600 Solubility(mol/l):0.000105 Class:Soluble Ali LogS:-3.75 Solubility(mg/ml): 0.041300 Solubility(mol/l): 0.000176 Class:Soluble SilicosIT LogS:-6.32 Solubility(mg/ml): 0.000111 Solubility(mol/l): 0.000000 Class:Poorly soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: Yes CYP1A2 inhibitor: No CYP2C19: Yes CYP2C9: No CYP2D6: Yes CYP3A4: No Log kp: -5.27 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.31 |