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PUBCHEM-ZINC05932948

 MMsINC code: MMs03450896
Type: Neutral
Formula: C14H24O
SMILES:   O=C1CCCCC1C1CCCCC1CC
InChI:   InChI=1/C14H24O/c1-2-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15/h11-13H,2-10H2,1H3/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=46.76 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.4596  SlogP: 3.9621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150211  Sterimol/B1: 2.21567  Sterimol/B2: 2.47386  Sterimol/B3: 4.31516
  Sterimol/B4: 6.82775  Sterimol/L: 12.0635 
 
 Surface and Volume Properties
  Accessible surface: 425.006  Positive charged surface: 323.819  Negative charged surface: 101.187  Volume: 232.625
  Hydrophobic surface: 379.466  Hydrophilic surface: 45.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.