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NCID-ZINC01688105

 MMsINC code: MMs02320705
Type: Neutral
Formula: C6H12N2O4
SMILES:   O(CCOC(=O)NC)C(=O)NC
InChI:   InChI=1/C6H12N2O4/c1-7-5(9)11-3-4-12-6(10)8-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)

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Potential Energy
Epot(MMFF94)=-26.1534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.172 g/mol  logS: -0.08932  SlogP: -0.3016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354487  Sterimol/B1: 2.38427  Sterimol/B2: 2.81408  Sterimol/B3: 2.8377
  Sterimol/B4: 4.91254  Sterimol/L: 13.7593 
 
 Surface and Volume Properties
  Accessible surface: 403.577  Positive charged surface: 340.557  Negative charged surface: 63.0196  Volume: 161.375
  Hydrophobic surface: 256.518  Hydrophilic surface: 147.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.