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PUBCHEM-ZINC05947644

 MMsINC code: MMs03456498
Type: Neutral
Formula: C10H10Br2FNO2
SMILES:   BrC(Br)(F)C(=O)NC(CO)c1ccccc1
InChI:   InChI=1/C10H10Br2FNO2/c11-10(12,13)9(16)14-8(6-15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=67.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.001 g/mol  logS: -3.95114  SlogP: 2.7647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209506  Sterimol/B1: 3.0078  Sterimol/B2: 3.37882  Sterimol/B3: 4.00742
  Sterimol/B4: 5.11609  Sterimol/L: 13.5083 
 
 Surface and Volume Properties
  Accessible surface: 469.454  Positive charged surface: 177.543  Negative charged surface: 291.911  Volume: 238.75
  Hydrophobic surface: 222.115  Hydrophilic surface: 247.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.