ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
37469151 | C[NH2+][C@H](c1ncccn1)C1CCCCC1 | Formula:C12H20N3 Mol: 206.31 Heavy atoms:15 Aromatic heavy atoms: 6 Fraction Csp3: 0.67 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 1 MR: 62.59 TPSA: 42.39 | ILOGP:2.66 XLOGP3: 2.01 WLOGP: 0.97 MLOGP: -2.41 Silicos ITLogP: 2.29 Consensus LogP: 1.10 | ESOL LogS:-2.48 Solubility(mg/ml): 0.678000 Solubility(mol/l):0.003290 Class:Soluble Ali LogS:-2.53 Solubility(mg/ml): 0.613000 Solubility(mol/l): 0.002970 Class:Soluble SilicosIT LogS:-3.58 Solubility(mg/ml): 0.054000 Solubility(mol/l): 0.000262 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.13 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.60 |