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NCID-ZINC04722305

 MMsINC code: MMs02397542
Type: Ionized
Formula: C6H8N4O6-2
SMILES:   O=C([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)/p-2

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Potential Energy
Epot(MMFF94)=58.3112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.152 g/mol  logS: -0.5037  SlogP: -3.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888109  Sterimol/B1: 3.10137  Sterimol/B2: 3.13751  Sterimol/B3: 3.92546
  Sterimol/B4: 4.55039  Sterimol/L: 12.8903 
 
 Surface and Volume Properties
  Accessible surface: 402.757  Positive charged surface: 161.482  Negative charged surface: 241.275  Volume: 178.375
  Hydrophobic surface: 235.297  Hydrophilic surface: 167.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 4  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: 0
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Parent related molecule:


MMs02397541
NCID-ZINC04722305