ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
48890025 | O=C(c1n[nH]nc1)Nc1cccc2c1cccc2 | Formula:C13H10N4O Mol: 238.24 Heavy atoms:18 Aromatic heavy atoms: 15 Fraction Csp3: 0.00 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 68.10 TPSA: 70.67 | ILOGP:0.81 XLOGP3: 2.02 WLOGP: 2.02 MLOGP: 1.53 Silicos ITLogP: 2.08 Consensus LogP: 1.69 | ESOL LogS:-3.01 Solubility(mg/ml): 0.234000 Solubility(mol/l):0.000981 Class:Soluble Ali LogS:-3.13 Solubility(mg/ml): 0.176000 Solubility(mol/l): 0.000739 Class:Soluble SilicosIT LogS:-5.06 Solubility(mg/ml): 0.002060 Solubility(mol/l): 0.000009 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.32 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.02 |