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PUBCHEM-ZINC05515796

 MMsINC code: MMs03294813
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-/m1/s1

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Potential Energy
Epot(MMFF94)=68.1356 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: 0.13109  Sterimol/B1: 2.0815  Sterimol/B2: 4.20103  Sterimol/B3: 4.79464
  Sterimol/B4: 8.14412  Sterimol/L: 12.6841 
 
 Surface and Volume Properties
  Accessible surface: 539.549  Positive charged surface: 436.943  Negative charged surface: 102.606  Volume: 324.75
  Hydrophobic surface: 491.968  Hydrophilic surface: 47.581
 
 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.