ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
20050650 | O=C(N1CCCC1)C[NH2+]CCc1ccccc1 | Formula:C14H21N2O Mol: 233.33 Heavy atoms:17 Aromatic heavy atoms: 6 Fraction Csp3: 0.50 Rotatable bonds: 6 H-bond acceptors: 1 H-bond donors: 1 MR: 74.01 TPSA: 36.92 | ILOGP:2.51 XLOGP3: 1.77 WLOGP: 0.03 MLOGP: -1.97 Silicos ITLogP: 2.44 Consensus LogP: 0.96 | ESOL LogS:-2.27 Solubility(mg/ml): 1.260000 Solubility(mol/l):0.005410 Class:Soluble Ali LogS:-2.16 Solubility(mg/ml): 1.600000 Solubility(mol/l): 0.006870 Class:Soluble SilicosIT LogS:-4.07 Solubility(mg/ml): 0.020100 Solubility(mol/l): 0.000086 Class:Moderately soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.47 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 1.57 |