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NCID-ZINC01561551

 MMsINC code: MMs02223665
Type: Neutral
Formula: C6H12N2O3
SMILES:   O(C(C(=O)N)C)C(C(=O)N)C
InChI:   InChI=1/C6H12N2O3/c1-3(5(7)9)11-4(2)6(8)10/h3-4H,1-2H3,(H2,7,9)(H2,8,10)/t3-,4+

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Potential Energy
Epot(MMFF94)=41.6245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: -0.94472  SlogP: -1.2494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871139  Sterimol/B1: 2.22821  Sterimol/B2: 2.64893  Sterimol/B3: 2.91546
  Sterimol/B4: 5.02737  Sterimol/L: 10.8493 
 
 Surface and Volume Properties
  Accessible surface: 352.369  Positive charged surface: 227.993  Negative charged surface: 124.375  Volume: 148.5
  Hydrophobic surface: 105.161  Hydrophilic surface: 247.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.