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PUBCHEM-ZINC04831374

 MMsINC code: MMs03177134
Type: Neutral
Formula: C10H16O6
SMILES:   O1C(C2OC(OCC2OC1C)C)C(OC)=O
InChI:   InChI=1/C10H16O6/c1-5-13-4-7-8(15-5)9(10(11)12-3)16-6(2)14-7/h5-9H,4H2,1-3H3/t5-,6+,7-,8+,9+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.6497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.28283  SlogP: 0.0508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115373  Sterimol/B1: 2.1117  Sterimol/B2: 2.45623  Sterimol/B3: 3.62035
  Sterimol/B4: 7.26361  Sterimol/L: 11.7954 
 
 Surface and Volume Properties
  Accessible surface: 427.481  Positive charged surface: 323.88  Negative charged surface: 103.601  Volume: 207
  Hydrophobic surface: 303.633  Hydrophilic surface: 123.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.