ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
82379079 | [O-]C(=O)[C@@H](Cc1nc2c([nH]1)cccn2)[NH3+] | Formula:C9H10N4O2 Mol: 206.20 Heavy atoms:15 Aromatic heavy atoms: 9 Fraction Csp3: 0.22 Rotatable bonds: 3 H-bond acceptors: 4 H-bond donors: 2 MR: 52.26 TPSA: 109.34 | ILOGP:0.20 XLOGP3: -2.54 WLOGP: -2.14 MLOGP: -4.29 Silicos ITLogP: 0.49 Consensus LogP: -1.65 | ESOL LogS:0.24 Solubility(mg/ml): 9.999999 Solubility(mol/l):1.720000 Class:Highly soluble Ali LogS:0.79 Solubility(mg/ml): 9.999999 Solubility(mol/l): 6.140000 Class:Highly soluble SilicosIT LogS:-2.01 Solubility(mg/ml): 2.000000 Solubility(mol/l): 0.009710 Class:Soluble | GIAbsorption:Low BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -9.36 | Lipinski:0 Ghose: 1 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.39 |