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NCID-ZINC04786871

 MMsINC code: MMs02406126
Type: Neutral
Formula: C14H24O6
SMILES:   O(C(=O)C(CCC(OCC)=O)CCC(OCC)=O)CC
InChI:   InChI=1/C14H24O6/c1-4-18-12(15)9-7-11(14(17)20-6-3)8-10-13(16)19-5-2/h11H,4-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=26.9897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.34 g/mol  logS: -1.72054  SlogP: 1.8523  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.028636  Sterimol/B1: 2.62128  Sterimol/B2: 3.30836  Sterimol/B3: 4.02341
  Sterimol/B4: 6.767  Sterimol/L: 19.3903 
 
 Surface and Volume Properties
  Accessible surface: 600.331  Positive charged surface: 445.815  Negative charged surface: 154.516  Volume: 288.125
  Hydrophobic surface: 431.836  Hydrophilic surface: 168.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.