ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
95442571 | N#Cc1ccc2c(c1)nc([nH]2)c1ccc(cn1)C | Formula:C14H10N4 Mol: 234.26 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.07 Rotatable bonds: 1 H-bond acceptors: 3 H-bond donors: 1 MR: 69.01 TPSA: 65.36 | ILOGP:2.17 XLOGP3: 2.20 WLOGP: 2.80 MLOGP: 1.27 Silicos ITLogP: 3.47 Consensus LogP: 2.38 | ESOL LogS:-3.23 Solubility(mg/ml): 0.138000 Solubility(mol/l):0.000590 Class:Soluble Ali LogS:-3.21 Solubility(mg/ml): 0.146000 Solubility(mol/l): 0.000621 Class:Soluble SilicosIT LogS:-5.54 Solubility(mg/ml): 0.000682 Solubility(mol/l): 0.000003 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: Yes CYP3A4: Yes Log kp: -6.17 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.15 |