ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
76167662 | [O-]C(=O)c1cnn(c1C[C@@H]1COCC[NH2+]1)C | Formula:C10H15N3O3 Mol: 225.24 Heavy atoms:16 Aromatic heavy atoms: 5 Fraction Csp3: 0.60 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 1 MR: 59.35 TPSA: 83.79 | ILOGP:1.62 XLOGP3: -2.96 WLOGP: -3.09 MLOGP: -4.04 Silicos ITLogP: 0.27 Consensus LogP: -1.64 | ESOL LogS:0.60 Solubility(mg/ml): 9.999999 Solubility(mol/l):3.940000 Class:Highly soluble Ali LogS:1.76 Solubility(mg/ml): 9.999999 Solubility(mol/l): 9.999999 Class:Highly soluble SilicosIT LogS:-1.25 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.055700 Class:Soluble | GIAbsorption:Low BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -9.78 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.89 |