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PUBCHEM-ZINC05533405

 MMsINC code: MMs03300590
Type: Neutral
Formula: C18H34O2
SMILES:   O1CCCCCCCCCCCCCCCC(C)C1=O
InChI:   InChI=1/C18H34O2/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-20-18(17)19/h17H,2-16H2,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=54.2696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -6.50397  SlogP: 5.6407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951991  Sterimol/B1: 2.32071  Sterimol/B2: 3.78632  Sterimol/B3: 4.77498
  Sterimol/B4: 7.46077  Sterimol/L: 12.9111 
 
 Surface and Volume Properties
  Accessible surface: 551.662  Positive charged surface: 443.465  Negative charged surface: 108.197  Volume: 325.875
  Hydrophobic surface: 502.631  Hydrophilic surface: 49.031
 
 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.