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NCID-ZINC01621181

 MMsINC code: MMs02269122
Type: Neutral
Formula: C8H14O6
SMILES:   O(C(=O)C(O)(C(O)(C(OC)=O)C)C)C
InChI:   InChI=1/C8H14O6/c1-7(11,5(9)13-3)8(2,12)6(10)14-4/h11-12H,1-4H3/t7-,8+

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Potential Energy
Epot(MMFF94)=73.9621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: -0.65622  SlogP: -1.1656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120724  Sterimol/B1: 2.1048  Sterimol/B2: 3.47767  Sterimol/B3: 3.59309
  Sterimol/B4: 5.92477  Sterimol/L: 13.0826 
 
 Surface and Volume Properties
  Accessible surface: 394.869  Positive charged surface: 294.64  Negative charged surface: 100.229  Volume: 187.5
  Hydrophobic surface: 258.739  Hydrophilic surface: 136.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.