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PUBCHEM-ZINC05829795

 MMsINC code: MMs03404773
Type: Neutral
Formula: C6H11NO5
SMILES:   OC1C(O)C(=O)NC1C(O)CO
InChI:   InChI=1/C6H11NO5/c8-1-2(9)3-4(10)5(11)6(12)7-3/h2-5,8-11H,1H2,(H,7,12)/t2-,3+,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=67.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.156 g/mol  logS: 0.89821  SlogP: -3.4402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156138  Sterimol/B1: 3.06241  Sterimol/B2: 3.35275  Sterimol/B3: 3.80346
  Sterimol/B4: 3.86678  Sterimol/L: 11.0878 
 
 Surface and Volume Properties
  Accessible surface: 340.239  Positive charged surface: 247.079  Negative charged surface: 93.1603  Volume: 146.375
  Hydrophobic surface: 110.169  Hydrophilic surface: 230.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.