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ACROSORGANICS-ZINC02036909

 MMsINC code: MMs00012583
Type: Neutral
Formula: C8H14O5
SMILES:   O(C(=O)C(O)CC(OCC)=O)CC
InChI:   InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=17.3933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.195 g/mol  logS: -0.74068  SlogP: -0.1364  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0441168  Sterimol/B1: 2.55535  Sterimol/B2: 2.70697  Sterimol/B3: 3.33071
  Sterimol/B4: 5.54407  Sterimol/L: 14.5571 
 
 Surface and Volume Properties
  Accessible surface: 424.437  Positive charged surface: 299.682  Negative charged surface: 124.755  Volume: 181.375
  Hydrophobic surface: 263.38  Hydrophilic surface: 161.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.