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PUBCHEM-ZINC05758153

 MMsINC code: MMs03372862
Type: Neutral
Formula: C15H32O2
SMILES:   O(CCCCCCCCCCC(C)C)CCO
InChI:   InChI=1/C15H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-13-17-14-12-16/h15-16H,3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.8515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.419 g/mol  logS: -5.21182  SlogP: 4.1622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169034  Sterimol/B1: 2.4982  Sterimol/B2: 2.78733  Sterimol/B3: 3.13513
  Sterimol/B4: 4.29571  Sterimol/L: 22.0878 
 
 Surface and Volume Properties
  Accessible surface: 611.069  Positive charged surface: 519.771  Negative charged surface: 91.2987  Volume: 291.125
  Hydrophobic surface: 512.573  Hydrophilic surface: 98.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.