ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
37469155 | C[NH2+][C@H](c1ncccn1)C1CCCC1 | Formula:C11H18N3 Mol: 192.28 Heavy atoms:14 Aromatic heavy atoms: 6 Fraction Csp3: 0.64 Rotatable bonds: 3 H-bond acceptors: 2 H-bond donors: 1 MR: 57.79 TPSA: 42.39 | ILOGP:2.46 XLOGP3: 1.47 WLOGP: 0.58 MLOGP: -2.69 Silicos ITLogP: 2.04 Consensus LogP: 0.77 | ESOL LogS:-2.08 Solubility(mg/ml): 1.610000 Solubility(mol/l):0.008370 Class:Soluble Ali LogS:-1.97 Solubility(mg/ml): 2.080000 Solubility(mol/l): 0.010800 Class:Very soluble SilicosIT LogS:-3.30 Solubility(mg/ml): 0.096400 Solubility(mol/l): 0.000501 Class:Soluble | GIAbsorption:High BBB permeant: Yes Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.43 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.50 |