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PUBCHEM-ZINC06523842

 MMsINC code: MMs03781912
Type: Neutral
Formula: C4H6N2O4-2
SMILES:   OC(=O)C([NH-])C([NH-])C(O)=O
InChI:   InChI=1/C4H6N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/q-2/t1-,2+

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Potential Energy
Epot(MMFF94)=92.9679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.102 g/mol  logS: 0.98628  SlogP: -1.5414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111809  Sterimol/B1: 2.43922  Sterimol/B2: 3.44862  Sterimol/B3: 3.47705
  Sterimol/B4: 4.18278  Sterimol/L: 9.7316 
 
 Surface and Volume Properties
  Accessible surface: 296.311  Positive charged surface: 159.015  Negative charged surface: 137.297  Volume: 116.875
  Hydrophobic surface: 33.8436  Hydrophilic surface: 262.4674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 4  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.