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PUBCHEM-ZINC05308676

 MMsINC code: MMs03236405
Type: Neutral
Formula: C10H22O
SMILES:   O(C(CCCCCC)C)CC
InChI:   InChI=1/C10H22O/c1-4-6-7-8-9-10(3)11-5-2/h10H,4-9H2,1-3H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.77342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -2.97746  SlogP: 3.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538923  Sterimol/B1: 2.69045  Sterimol/B2: 3.00814  Sterimol/B3: 3.62355
  Sterimol/B4: 5.31704  Sterimol/L: 13.4589 
 
 Surface and Volume Properties
  Accessible surface: 439.13  Positive charged surface: 348.753  Negative charged surface: 90.3775  Volume: 197.875
  Hydrophobic surface: 366.44  Hydrophilic surface: 72.69
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.