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NCID-ZINC01716967

 MMsINC code: MMs02342524
Type: Neutral
Formula: C4H8N2O4
SMILES:   O(CC(N)C(O)=O)C(=O)N
InChI:   InChI=1/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=3.59173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.36688  SlogP: -1.5064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815399  Sterimol/B1: 2.57256  Sterimol/B2: 2.77399  Sterimol/B3: 3.16458
  Sterimol/B4: 4.16109  Sterimol/L: 10.7322 
 
 Surface and Volume Properties
  Accessible surface: 321.7  Positive charged surface: 217.057  Negative charged surface: 104.643  Volume: 122.125
  Hydrophobic surface: 48.4453  Hydrophilic surface: 273.2547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.