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NCID-ZINC01672968

 MMsINC code: MMs02308984
Type: Neutral
Formula: C14H26O6
SMILES:   O(C(=O)C(O)C(O)C(OCCC(C)C)=O)CCC(C)C
InChI:   InChI=1/C14H26O6/c1-9(2)5-7-19-13(17)11(15)12(16)14(18)20-8-6-10(3)4/h9-12,15-16H,5-8H2,1-4H3/t11-,12+

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Potential Energy
Epot(MMFF94)=52.4148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.356 g/mol  logS: -3.12064  SlogP: 0.8868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281821  Sterimol/B1: 2.10419  Sterimol/B2: 3.38863  Sterimol/B3: 4.38904
  Sterimol/B4: 4.55041  Sterimol/L: 19.8081 
 
 Surface and Volume Properties
  Accessible surface: 590.038  Positive charged surface: 421.336  Negative charged surface: 168.702  Volume: 291.375
  Hydrophobic surface: 368.447  Hydrophilic surface: 221.591
 
 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.