ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
75913878 | Cc1cc(cc(c1)C)NC(=O)c1n[nH]cn1 | Formula:C11H12N4O Mol: 216.24 Heavy atoms:16 Aromatic heavy atoms: 11 Fraction Csp3: 0.18 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 60.53 TPSA: 70.67 | ILOGP:1.26 XLOGP3: 1.88 WLOGP: 1.48 MLOGP: 0.76 Silicos ITLogP: 2.02 Consensus LogP: 1.48 | ESOL LogS:-2.68 Solubility(mg/ml): 0.456000 Solubility(mol/l):0.002110 Class:Soluble Ali LogS:-2.99 Solubility(mg/ml): 0.223000 Solubility(mol/l): 0.001030 Class:Soluble SilicosIT LogS:-4.16 Solubility(mg/ml): 0.014900 Solubility(mol/l): 0.000069 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.28 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.85 |