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PUBCHEM-ZINC05512309

 MMsINC code: MMs03292682
Type: Neutral
Formula: C14H28O2
SMILES:   OC(C(=O)CCCCCC)CCCCCC
InChI:   InChI=1/C14H28O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13,15H,3-12H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=11.9669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.376 g/mol  logS: -4.57922  SlogP: 3.8572  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0274424  Sterimol/B1: 2.48143  Sterimol/B2: 2.92178  Sterimol/B3: 3.12797
  Sterimol/B4: 6.27976  Sterimol/L: 19.265 
 
 Surface and Volume Properties
  Accessible surface: 553.764  Positive charged surface: 426.511  Negative charged surface: 127.253  Volume: 267.75
  Hydrophobic surface: 436.825  Hydrophilic surface: 116.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.