ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
384465 | O=C(c1cc2c([nH]1)cccc2)Nc1ccccc1 | Formula:C15H12N2O Mol: 236.27 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 1 H-bond donors: 2 MR: 72.51 TPSA: 44.89 | ILOGP:2.11 XLOGP3: 3.62 WLOGP: 3.23 MLOGP: 2.37 Silicos ITLogP: 3.18 Consensus LogP: 2.90 | ESOL LogS:-4.00 Solubility(mg/ml): 0.023400 Solubility(mol/l):0.000099 Class:Moderately soluble Ali LogS:-4.25 Solubility(mg/ml): 0.013300 Solubility(mol/l): 0.000056 Class:Moderately soluble SilicosIT LogS:-5.81 Solubility(mg/ml): 0.000368 Solubility(mol/l): 0.000002 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -5.17 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 2 Synthetic Accessibility: 1.71 |