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NCID-ZINC01639731

 MMsINC code: MMs02281891
Type: Neutral
Formula: C4H8N2O4
SMILES:   OC(=O)C(NN)CC(O)=O
InChI:   InChI=1/C4H8N2O4/c5-6-2(4(9)10)1-3(7)8/h2,6H,1,5H2,(H,7,8)(H,9,10)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=41.3114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.86457  SlogP: -1.6224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183166  Sterimol/B1: 2.39091  Sterimol/B2: 2.70882  Sterimol/B3: 3.45345
  Sterimol/B4: 4.99045  Sterimol/L: 9.80648 
 
 Surface and Volume Properties
  Accessible surface: 305.159  Positive charged surface: 193.391  Negative charged surface: 111.767  Volume: 120.5
  Hydrophobic surface: 46.8888  Hydrophilic surface: 258.2702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02281892
NCID-ZINC01639731