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PUBCHEM-ZINC05418384

 MMsINC code: MMs03262960
Type: Neutral
Formula: C11H23ClO2
SMILES:   ClCC(O)COC(CCCCCC)C
InChI:   InChI=1/C11H23ClO2/c1-3-4-5-6-7-10(2)14-9-11(13)8-12/h10-11,13H,3-9H2,1-2H3/t10-,11+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.2834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.756 g/mol  logS: -3.21299  SlogP: 2.9616  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0489283  Sterimol/B1: 2.65751  Sterimol/B2: 3.14499  Sterimol/B3: 3.87188
  Sterimol/B4: 6.66406  Sterimol/L: 15.4144 
 
 Surface and Volume Properties
  Accessible surface: 502.236  Positive charged surface: 349.25  Negative charged surface: 152.986  Volume: 238.75
  Hydrophobic surface: 346.546  Hydrophilic surface: 155.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.