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ASINEX-ZINC04024366

 MMsINC code: MMs00297163
Type: Neutral
Formula: C16H30O2
SMILES:   O(C(=O)C)C1CCCCC1CC(CCCC)CC
InChI:   InChI=1/C16H30O2/c1-4-6-9-14(5-2)12-15-10-7-8-11-16(15)18-13(3)17/h14-16H,4-12H2,1-3H3/t14-,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=32.1702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -5.28552  SlogP: 4.7148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.279913  Sterimol/B1: 2.6369  Sterimol/B2: 4.57192  Sterimol/B3: 5.79841
  Sterimol/B4: 6.68845  Sterimol/L: 13.6002 
 
 Surface and Volume Properties
  Accessible surface: 551.044  Positive charged surface: 406.714  Negative charged surface: 144.33  Volume: 289
  Hydrophobic surface: 469.933  Hydrophilic surface: 81.111
 
 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.