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NCID-ZINC04975107

 MMsINC code: MMs02423187
Type: Neutral
Formula: C6H9N5O4
SMILES:   O=C1N(C)C(=O)N(C)C(NN)=C1[N+](=O)[O-]
InChI:   InChI=1/C6H9N5O4/c1-9-4(8-7)3(11(14)15)5(12)10(2)6(9)13/h8H,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.169 g/mol  logS: -1.05338  SlogP: -1.5807  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0342258  Sterimol/B1: 2.23503  Sterimol/B2: 2.37828  Sterimol/B3: 2.51428
  Sterimol/B4: 7.5049  Sterimol/L: 10.6669 
 
 Surface and Volume Properties
  Accessible surface: 361.099  Positive charged surface: 239.461  Negative charged surface: 121.638  Volume: 166.375
  Hydrophobic surface: 134.027  Hydrophilic surface: 227.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.