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ACROSORGANICS-ZINC01672959

 MMsINC code: MMs00010559
Type: Neutral
Formula: C11H23BrO
SMILES:   BrCCCCCCCCCCCO
InChI:   InChI=1/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.87002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.208 g/mol  logS: -3.86471  SlogP: 3.8845  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0249729  Sterimol/B1: 2.37505  Sterimol/B2: 2.37584  Sterimol/B3: 2.38037
  Sterimol/B4: 3.02765  Sterimol/L: 19.5716 
 
 Surface and Volume Properties
  Accessible surface: 512.72  Positive charged surface: 362.143  Negative charged surface: 150.577  Volume: 243.875
  Hydrophobic surface: 363.124  Hydrophilic surface: 149.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.