ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
67173268 | CC([C@@H]1[NH2+]CCN(C1)c1ccccc1C(=O)[O-])C | Formula:C14H20N2O2 Mol: 248.32 Heavy atoms:18 Aromatic heavy atoms: 6 Fraction Csp3: 0.50 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 1 MR: 78.20 TPSA: 59.98 | ILOGP:2.00 XLOGP3: 0.03 WLOGP: -1.30 MLOGP: -1.88 Silicos ITLogP: 1.59 Consensus LogP: 0.09 | ESOL LogS:-1.45 Solubility(mg/ml): 8.870000 Solubility(mol/l):0.035700 Class:Very soluble Ali LogS:-0.84 Solubility(mg/ml): 9.999999 Solubility(mol/l): 0.144000 Class:Very soluble SilicosIT LogS:-2.87 Solubility(mg/ml): 0.338000 Solubility(mol/l): 0.001360 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -7.79 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.29 |