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PUBCHEM-ZINC05132061

 MMsINC code: MMs03207023
Type: Neutral
Formula: C8H10N4O6
SMILES:   O=C1NC(=O)N(C=2N(CO)C(=O)N(C1=2)CO)CO
InChI:   InChI=1/C8H10N4O6/c13-1-10-4-5(16)9-7(17)11(2-14)6(4)12(3-15)8(10)18/h13-15H,1-3H2,(H,9,16,17)

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Potential Energy
Epot(MMFF94)=-8.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.19 g/mol  logS: 0.8131  SlogP: -2.7057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695793  Sterimol/B1: 2.63283  Sterimol/B2: 3.3193  Sterimol/B3: 4.10447
  Sterimol/B4: 5.52691  Sterimol/L: 11.5141 
 
 Surface and Volume Properties
  Accessible surface: 412.464  Positive charged surface: 275.306  Negative charged surface: 137.157  Volume: 196.625
  Hydrophobic surface: 73.3033  Hydrophilic surface: 339.1607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.