ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
76172180 | C[NH2+][C@H](c1nc2c([nH]1)cccc2)C(=O)[O-] | Formula:C10H11N3O2 Mol: 205.21 Heavy atoms:15 Aromatic heavy atoms: 9 Fraction Csp3: 0.20 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 54.56 TPSA: 85.42 | ILOGP:-0.07 XLOGP3: -1.59 WLOGP: -1.78 MLOGP: -3.58 Silicos ITLogP: 1.07 Consensus LogP: -1.19 | ESOL LogS:-0.36 Solubility(mg/ml): 9.999999 Solubility(mol/l):0.440000 Class:Very soluble Ali LogS:0.30 Solubility(mg/ml): 9.999999 Solubility(mol/l): 2.020000 Class:Highly soluble SilicosIT LogS:-2.78 Solubility(mg/ml): 0.342000 Solubility(mol/l): 0.001670 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -8.68 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 0 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.25 |