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NCID-ZINC04990563

 MMsINC code: MMs02424651
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C)C1CCCCCCCCC1OC(=O)C
InChI:   InChI=1/C14H24O4/c1-11(15)17-13-9-7-5-3-4-6-8-10-14(13)18-12(2)16/h13-14H,3-10H2,1-2H3/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=122.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.4384  SlogP: 2.9842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.380383  Sterimol/B1: 3.34369  Sterimol/B2: 3.46207  Sterimol/B3: 4.89644
  Sterimol/B4: 5.72773  Sterimol/L: 12.965 
 
 Surface and Volume Properties
  Accessible surface: 464.386  Positive charged surface: 310.991  Negative charged surface: 153.396  Volume: 261.375
  Hydrophobic surface: 396.767  Hydrophilic surface: 67.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.