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ENAMINE-ZINC03257691

 MMsINC code: MMs01334611
Type: Neutral
Formula: C6H10N2O4
SMILES:   OC1CC(N(C1)C(=O)N)C(O)=O
InChI:   InChI=1/C6H10N2O4/c7-6(12)8-2-3(9)1-4(8)5(10)11/h3-4,9H,1-2H2,(H2,7,12)(H,10,11)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=8.41268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.156 g/mol  logS: 0.25176  SlogP: -1.4151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168309  Sterimol/B1: 2.8249  Sterimol/B2: 3.33004  Sterimol/B3: 3.34878
  Sterimol/B4: 5.8578  Sterimol/L: 9.23905 
 
 Surface and Volume Properties
  Accessible surface: 341.19  Positive charged surface: 232.19  Negative charged surface: 108.999  Volume: 147
  Hydrophobic surface: 106.977  Hydrophilic surface: 234.213
 
 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


MMs01334612
ENAMINE-ZINC03257691