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PUBCHEM-ZINC03643284

 MMsINC code: MMs03032162
Type: Neutral
Formula: C8HBr2ClF4N2
SMILES:   Brc1c(F)c(Br)c2nc([nH]c2c1Cl)C(F)(F)F
InChI:   InChI=1/C8HBr2ClF4N2/c9-1-3(11)6-5(2(10)4(1)12)16-7(17-6)8(13,14)15/h(H,16,17)

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Potential Energy
Epot(MMFF94)=41.9455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.363 g/mol  logS: -5.903  SlogP: 5.2107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221697  Sterimol/B1: 2.42914  Sterimol/B2: 2.76979  Sterimol/B3: 4.75278
  Sterimol/B4: 5.87156  Sterimol/L: 11.7743 
 
 Surface and Volume Properties
  Accessible surface: 434.871  Positive charged surface: 69.4045  Negative charged surface: 365.466  Volume: 213.125
  Hydrophobic surface: 290.725  Hydrophilic surface: 144.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.