ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
40483424 | CC(N(C(=O)C1([NH3+])CCCC1)CC(=O)[O-])C | Formula:C11H20N2O3 Mol: 228.29 Heavy atoms:16 Aromatic heavy atoms: 0 Fraction Csp3: 0.82 Rotatable bonds: 5 H-bond acceptors: 3 H-bond donors: 1 MR: 59.81 TPSA: 88.08 | ILOGP:1.30 XLOGP3: -2.01 WLOGP: -1.47 MLOGP: -3.47 Silicos ITLogP: 0.27 Consensus LogP: -1.08 | ESOL LogS:0.34 Solubility(mg/ml): 9.999999 Solubility(mol/l):2.190000 Class:Highly soluble Ali LogS:0.68 Solubility(mg/ml): 9.999999 Solubility(mol/l): 4.840000 Class:Highly soluble SilicosIT LogS:-0.79 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.161000 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -9.12 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.87 |