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PUBCHEM-ZINC05462842

 MMsINC code: MMs03276864
Type: Neutral
Formula: C16H28O4
SMILES:   O1CC1COC(=O)C1(OCCCCCC)CCCCC1
InChI:   InChI=1/C16H28O4/c1-2-3-4-8-11-20-16(9-6-5-7-10-16)15(17)19-13-14-12-18-14/h14H,2-13H2,1H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=45.5341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -3.97861  SlogP: 3.2282  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0969109  Sterimol/B1: 3.28916  Sterimol/B2: 3.7886  Sterimol/B3: 5.23469
  Sterimol/B4: 8.37413  Sterimol/L: 14.6313 
 
 Surface and Volume Properties
  Accessible surface: 593.121  Positive charged surface: 431.118  Negative charged surface: 162.003  Volume: 301.5
  Hydrophobic surface: 515.074  Hydrophilic surface: 78.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.