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PUBCHEM-ZINC02563862

 MMsINC code: MMs02901652
Type: Neutral
Formula: C6H9NO5
SMILES:   O(C(=O)C(=O)NCC(OC)=O)C
InChI:   InChI=1/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)

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Potential Energy
Epot(MMFF94)=46.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.14 g/mol  logS: -0.57945  SlogP: -1.5514  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0183237  Sterimol/B1: 2.37512  Sterimol/B2: 2.37542  Sterimol/B3: 2.61213
  Sterimol/B4: 4.11746  Sterimol/L: 14.4075 
 
 Surface and Volume Properties
  Accessible surface: 375.681  Positive charged surface: 279.991  Negative charged surface: 95.6899  Volume: 151.25
  Hydrophobic surface: 220.189  Hydrophilic surface: 155.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.