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NCID-ZINC05395747

 MMsINC code: MMs02459080
Type: Neutral
Formula: C6H11NO5
SMILES:   O1C(C(O)CO)C(O)C(N)C1=O
InChI:   InChI=1/C6H11NO5/c7-3-4(10)5(2(9)1-8)12-6(3)11/h2-5,8-10H,1,7H2/t2-,3+,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=61.9548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.156 g/mol  logS: 0.76871  SlogP: -3.0468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135848  Sterimol/B1: 2.66682  Sterimol/B2: 3.75294  Sterimol/B3: 3.7609
  Sterimol/B4: 3.91168  Sterimol/L: 11.2892 
 
 Surface and Volume Properties
  Accessible surface: 341.403  Positive charged surface: 236.588  Negative charged surface: 104.815  Volume: 149.25
  Hydrophobic surface: 100.784  Hydrophilic surface: 240.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.