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BACHEM-ZINC01708196

MMsINC code: MMs00482544

Type: Neutral
Formula: C6H10N2O5
SMILES:   OC(=O)C(NC(=O)CN)CC(O)=O
InChI:   InChI=1/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=27.9745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.155 g/mol  logS: 0.67193  SlogP: -2.0108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997785  Sterimol/B1: 2.68579  Sterimol/B2: 3.25977  Sterimol/B3: 4.54293
  Sterimol/B4: 5.16405  Sterimol/L: 10.7884 
 
 Surface and Volume Properties
  Accessible surface: 372.438  Positive charged surface: 245.048  Negative charged surface: 127.391  Volume: 156.875
  Hydrophobic surface: 94.1026  Hydrophilic surface: 278.3354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs00482545
BACHEM-ZINC01708196