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NCID-ZINC01670851

 MMsINC code: MMs02306871
Type: Neutral
Formula: C4H8N2O4
SMILES:   OC(C(O)C(=O)N)C(=O)N
InChI:   InChI=1/C4H8N2O4/c5-3(9)1(7)2(8)4(6)10/h1-2,7-8H,(H2,5,9)(H2,6,10)/t1-,2-/m1/s1

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Potential Energy
Epot(MMFF94)=32.0722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.25742  SlogP: -3.3212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195428  Sterimol/B1: 2.55492  Sterimol/B2: 3.04313  Sterimol/B3: 3.29155
  Sterimol/B4: 3.87711  Sterimol/L: 9.46544 
 
 Surface and Volume Properties
  Accessible surface: 297.446  Positive charged surface: 179.795  Negative charged surface: 117.651  Volume: 118.25
  Hydrophobic surface: 22.61  Hydrophilic surface: 274.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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.