ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
83282261 | [O-]C(=O)[C@H]1CCCC[C@@]21CCC[NH2+]C2 | Formula:C11H19NO2 Mol: 197.27 Heavy atoms:14 Aromatic heavy atoms: 0 Fraction Csp3: 0.91 Rotatable bonds: 1 H-bond acceptors: 2 H-bond donors: 1 MR: 58.01 TPSA: 56.74 | ILOGP:1.90 XLOGP3: -0.78 WLOGP: -1.11 MLOGP: -2.08 Silicos ITLogP: 1.68 Consensus LogP: -0.08 | ESOL LogS:-0.51 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.312000 Class:Very soluble Ali LogS:0.07 Solubility(mg/ml): 9.999999 Solubility(mol/l): 1.170000 Class:Highly soluble SilicosIT LogS:-1.84 Solubility(mg/ml): 2.830000 Solubility(mol/l): 0.014300 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.06 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.93 |