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NCID-ZINC04722305

 MMsINC code: MMs02397541
Type: Neutral
Formula: C6H10N4O6
SMILES:   OC(=O)CN(N=O)CCN(N=O)CC(O)=O
InChI:   InChI=1/C6H10N4O6/c11-5(12)3-9(7-15)1-2-10(8-16)4-6(13)14/h1-4H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=51.6077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.168 g/mol  logS: 0.0172  SlogP: -0.8776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111956  Sterimol/B1: 2.67783  Sterimol/B2: 3.1945  Sterimol/B3: 3.64671
  Sterimol/B4: 4.625  Sterimol/L: 12.0395 
 
 Surface and Volume Properties
  Accessible surface: 418.115  Positive charged surface: 210.89  Negative charged surface: 207.225  Volume: 184.125
  Hydrophobic surface: 233  Hydrophilic surface: 185.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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


MMs02397542
NCID-ZINC04722305