ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
64543280 | Cc1n[nH]c(n1)NC(=O)c1ccccc1 | Formula:C10H10N4O Mol: 202.21 Heavy atoms:15 Aromatic heavy atoms: 11 Fraction Csp3: 0.10 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 55.56 TPSA: 70.67 | ILOGP:0.34 XLOGP3: 1.55 WLOGP: 1.17 MLOGP: 0.88 Silicos ITLogP: 1.55 Consensus LogP: 1.10 | ESOL LogS:-2.41 Solubility(mg/ml): 0.778000 Solubility(mol/l):0.003850 Class:Soluble Ali LogS:-2.64 Solubility(mg/ml): 0.459000 Solubility(mol/l): 0.002270 Class:Soluble SilicosIT LogS:-3.77 Solubility(mg/ml): 0.034100 Solubility(mol/l): 0.000169 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.43 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.82 |