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NCID-ZINC05431141

 MMsINC code: MMs02460933
Type: Neutral
Formula: C13H20O8
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)CC1OC
InChI:   InChI=1/C13H20O8/c1-7(14)18-6-11-13(20-9(3)16)10(19-8(2)15)5-12(17-4)21-11/h10-13H,5-6H2,1-4H3/t10-,11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=43.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.295 g/mol  logS: -1.35375  SlogP: 0.1743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600323  Sterimol/B1: 2.80009  Sterimol/B2: 3.54322  Sterimol/B3: 5.75048
  Sterimol/B4: 7.23716  Sterimol/L: 15.4045 
 
 Surface and Volume Properties
  Accessible surface: 561.658  Positive charged surface: 385.911  Negative charged surface: 175.747  Volume: 276.625
  Hydrophobic surface: 438.394  Hydrophilic surface: 123.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.