ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
32674211 | CCCNC(=O)[C@@]1(C)OC(=O)c2c(C1)cccc2 | Formula:C14H17NO3 Mol: 247.29 Heavy atoms:18 Aromatic heavy atoms: 6 Fraction Csp3: 0.43 Rotatable bonds: 4 H-bond acceptors: 3 H-bond donors: 1 MR: 67.65 TPSA: 55.40 | ILOGP:2.00 XLOGP3: 2.27 WLOGP: 1.68 MLOGP: 1.86 Silicos ITLogP: 2.72 Consensus LogP: 2.11 | ESOL LogS:-2.79 Solubility(mg/ml): 0.405000 Solubility(mol/l):0.001640 Class:Soluble Ali LogS:-3.07 Solubility(mg/ml): 0.210000 Solubility(mol/l): 0.000851 Class:Soluble SilicosIT LogS:-4.43 Solubility(mg/ml): 0.009080 Solubility(mol/l): 0.000037 Class:Moderately soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.20 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.89 |