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PUBCHEM-ZINC04556950

 MMsINC code: MMs03133710
Type: Neutral
Formula: C17H34O2
SMILES:   O(C(=O)CCCCCCCCCCCC(CC)C)C
InChI:   InChI=1/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=15.0107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.457 g/mol  logS: -6.9057  SlogP: 5.4966  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0149534  Sterimol/B1: 2.52494  Sterimol/B2: 3.16476  Sterimol/B3: 3.35305
  Sterimol/B4: 3.75466  Sterimol/L: 24.5914 
 
 Surface and Volume Properties
  Accessible surface: 647.569  Positive charged surface: 533.31  Negative charged surface: 114.259  Volume: 318.625
  Hydrophobic surface: 562.768  Hydrophilic surface: 84.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.