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PUBCHEM-ZINC05113118

 MMsINC code: MMs03201474
Type: Neutral
Formula: C11H22Br2O
SMILES:   BrC(CCCCCCCCCO)CBr
InChI:   InChI=1/C11H22Br2O/c12-10-11(13)8-6-4-2-1-3-5-7-9-14/h11,14H,1-10H2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=12.9972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.104 g/mol  logS: -4.44302  SlogP: 4.6778  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0274333  Sterimol/B1: 2.29974  Sterimol/B2: 2.62325  Sterimol/B3: 3.49894
  Sterimol/B4: 4.27239  Sterimol/L: 19.5712 
 
 Surface and Volume Properties
  Accessible surface: 535.543  Positive charged surface: 333.474  Negative charged surface: 202.069  Volume: 265.25
  Hydrophobic surface: 329.955  Hydrophilic surface: 205.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.