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ALFAAESAR-ZINC05224643

 MMsINC code: MMs00025341
Type: Neutral
Formula: C8H16O4
SMILES:   O1C(O)(C)C(OC(O)(C)C1C)C
InChI:   InChI=1/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3/t5-,6-,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=64.7843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.212 g/mol  logS: -1.04034  SlogP: 0.2272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261431  Sterimol/B1: 2.51185  Sterimol/B2: 2.73429  Sterimol/B3: 3.72502
  Sterimol/B4: 5.70005  Sterimol/L: 9.54519 
 
 Surface and Volume Properties
  Accessible surface: 355.409  Positive charged surface: 245.243  Negative charged surface: 110.166  Volume: 169.5
  Hydrophobic surface: 190.048  Hydrophilic surface: 165.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.