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APOLLO-ZINC02526351

 MMsINC code: MMs00052859
Type: Neutral
Formula: C8H13BrF4O
SMILES:   BrC(F)(F)C(F)(F)CCOCCCC
InChI:   InChI=1/C8H13BrF4O/c1-2-3-5-14-6-4-7(10,11)8(9,12)13/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.3796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.087 g/mol  logS: -3.53532  SlogP: 4.656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425063  Sterimol/B1: 2.38801  Sterimol/B2: 2.63775  Sterimol/B3: 2.63868
  Sterimol/B4: 3.16111  Sterimol/L: 16.0347 
 
 Surface and Volume Properties
  Accessible surface: 446.215  Positive charged surface: 215.252  Negative charged surface: 230.964  Volume: 202.125
  Hydrophobic surface: 229.311  Hydrophilic surface: 216.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.