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PUBCHEM-ZINC05410007

 MMsINC code: MMs03260218
Type: Neutral
Formula: C5H5N5O5
SMILES:   O=C1NC(=O)NC(N=NC=O)=C1N(O)O
InChI:   InChI=1/C5H5N5O5/c11-1-6-9-3-2(10(14)15)4(12)8-5(13)7-3/h1,14-15H,(H2,7,8,12,13)/b9-6+

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Potential Energy
Epot(MMFF94)=24.9806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.125 g/mol  logS: -0.45451  SlogP: -1.3161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000824277  Sterimol/B1: 2.04851  Sterimol/B2: 2.15881  Sterimol/B3: 4.78038
  Sterimol/B4: 5.37373  Sterimol/L: 11.3136 
 
 Surface and Volume Properties
  Accessible surface: 362.51  Positive charged surface: 209.156  Negative charged surface: 153.355  Volume: 155.375
  Hydrophobic surface: 34.3173  Hydrophilic surface: 328.1927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.