ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
7910634 | O=C(c1cc2c([nH]1)cccc2)NCc1ccco1 | Formula:C14H12N2O2 Mol: 240.26 Heavy atoms:18 Aromatic heavy atoms: 14 Fraction Csp3: 0.07 Rotatable bonds: 4 H-bond acceptors: 2 H-bond donors: 2 MR: 68.05 TPSA: 58.03 | ILOGP:1.91 XLOGP3: 2.66 WLOGP: 2.54 MLOGP: 1.04 Silicos ITLogP: 2.93 Consensus LogP: 2.21 | ESOL LogS:-3.32 Solubility(mg/ml): 0.116000 Solubility(mol/l):0.000482 Class:Soluble Ali LogS:-3.53 Solubility(mg/ml): 0.070900 Solubility(mol/l): 0.000295 Class:Soluble SilicosIT LogS:-5.43 Solubility(mg/ml): 0.000901 Solubility(mol/l): 0.000004 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: Yes CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -5.88 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.08 |