ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
35165147 | COC(=O)CNC(=O)c1cn2c(n1)cccc2C | Formula:C12H13N3O3 Mol: 247.25 Heavy atoms:18 Aromatic heavy atoms: 9 Fraction Csp3: 0.25 Rotatable bonds: 5 H-bond acceptors: 4 H-bond donors: 1 MR: 64.05 TPSA: 72.70 | ILOGP:2.54 XLOGP3: 1.69 WLOGP: 0.55 MLOGP: 0.19 Silicos ITLogP: 0.71 Consensus LogP: 1.14 | ESOL LogS:-2.48 Solubility(mg/ml): 0.823000 Solubility(mol/l):0.003330 Class:Soluble Ali LogS:-2.83 Solubility(mg/ml): 0.364000 Solubility(mol/l): 0.001470 Class:Soluble SilicosIT LogS:-2.96 Solubility(mg/ml): 0.271000 Solubility(mol/l): 0.001100 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: Yes CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.61 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.16 |