ZINC ID | RADAR | Physiochemical Propperties | Lipophilicity | Water solubility | Phyarmacokinetics | Druglikeness | Medicinal Chemistry |
---|---|---|---|---|---|---|---|
5670148 | O=C(C1CCCCC1)Nc1ncn[nH]1 | Formula:C9H14N4O Mol: 194.23 Heavy atoms:14 Aromatic heavy atoms: 5 Fraction Csp3: 0.67 Rotatable bonds: 3 H-bond acceptors: 3 H-bond donors: 2 MR: 52.62 TPSA: 70.67 | ILOGP:0.90 XLOGP3: 1.58 WLOGP: 1.13 MLOGP: 0.56 Silicos ITLogP: 1.20 Consensus LogP: 1.07 | ESOL LogS:-2.11 Solubility(mg/ml): 1.520000 Solubility(mol/l):0.007840 Class:Soluble Ali LogS:-2.67 Solubility(mg/ml): 0.411000 Solubility(mol/l): 0.002110 Class:Soluble SilicosIT LogS:-2.30 Solubility(mg/ml): 0.967000 Solubility(mol/l): 0.004980 Class:Soluble | GIAbsorption:High BBB permeant: No Pgp substrate: No CYP1A2 inhibitor: No CYP2C19: No CYP2C9: No CYP2D6: No CYP3A4: No Log kp: -6.36 | Lipinski:0 Ghose: 0 Veber: 0 Egan: 0 Muegge: 1 Bioavalability Score0.55 | PAINS:0 Brenk: 0 Leadlikeness: 1 Synthetic Accessibility: 2.14 |