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NCID-ZINC01589770

 MMsINC code: MMs02244955
Type: Neutral
Formula: C8H14O6
SMILES:   O(C(=O)CC(O)C(O)CC(OC)=O)C
InChI:   InChI=1/C8H14O6/c1-13-7(11)3-5(9)6(10)4-8(12)14-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=31.2374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: 0.23436  SlogP: -1.1656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0507538  Sterimol/B1: 2.43651  Sterimol/B2: 2.99147  Sterimol/B3: 2.99685
  Sterimol/B4: 3.44774  Sterimol/L: 15.6643 
 
 Surface and Volume Properties
  Accessible surface: 420.249  Positive charged surface: 323.214  Negative charged surface: 97.0353  Volume: 188.25
  Hydrophobic surface: 278.362  Hydrophilic surface: 141.887
 
 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.