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ACROSORGANICS-ZINC01599248

 MMsINC code: MMs00009766
Type: Neutral
Formula: C10H18O6
SMILES:   O(C(C)C)C(=O)C(O)C(O)C(OC(C)C)=O
InChI:   InChI=1/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=41.5546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -1.31064  SlogP: -0.3886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950941  Sterimol/B1: 2.17489  Sterimol/B2: 3.62201  Sterimol/B3: 4.36398
  Sterimol/B4: 5.14708  Sterimol/L: 14.179 
 
 Surface and Volume Properties
  Accessible surface: 474.419  Positive charged surface: 310.474  Negative charged surface: 163.945  Volume: 221.875
  Hydrophobic surface: 262.168  Hydrophilic surface: 212.251
 
 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.