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APOLLO-ZINC00134032

 MMsINC code: MMs00043399
Type: Ionized
Formula: C8H2Br2O4-2
SMILES:   Brc1cc(C(=O)[O-])c(Br)cc1C(=O)[O-]
InChI:   InChI=1/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)/p-2

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Potential Energy
Epot(MMFF94)=42.3441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.908 g/mol  logS: -4.02536  SlogP: -0.0614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399685  Sterimol/B1: 2.62526  Sterimol/B2: 2.77019  Sterimol/B3: 3.77726
  Sterimol/B4: 6.22556  Sterimol/L: 10.7222 
 
 Surface and Volume Properties
  Accessible surface: 391.977  Positive charged surface: 62.7185  Negative charged surface: 329.258  Volume: 190.75
  Hydrophobic surface: 230.697  Hydrophilic surface: 161.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs00043398
APOLLO-ZINC00134032