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PUBCHEM-ZINC01845839

 MMsINC code: MMs02823900
Type: Neutral
Formula: C11H20O3
SMILES:   OC(=O)CCCCCCCCC(=O)C
InChI:   InChI=1/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=0.696781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -2.15335  SlogP: 2.7808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0227601  Sterimol/B1: 2.37533  Sterimol/B2: 2.3755  Sterimol/B3: 3.08068
  Sterimol/B4: 3.59023  Sterimol/L: 18.1117 
 
 Surface and Volume Properties
  Accessible surface: 477.86  Positive charged surface: 343.601  Negative charged surface: 134.259  Volume: 216.75
  Hydrophobic surface: 342.22  Hydrophilic surface: 135.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02823901
PUBCHEM-ZINC01845839