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APOLLO-ZINC00134032

 MMsINC code: MMs00043398
Type: Neutral
Formula: C8H4Br2O4
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)

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Potential Energy
Epot(MMFF94)=47.7582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.924 g/mol  logS: -3.50446  SlogP: 2.608  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.89995e-07  Sterimol/B1: 2.16637  Sterimol/B2: 2.16678  Sterimol/B3: 3.99447
  Sterimol/B4: 6.28845  Sterimol/L: 11.7827 
 
 Surface and Volume Properties
  Accessible surface: 389.387  Positive charged surface: 139.108  Negative charged surface: 250.279  Volume: 193.125
  Hydrophobic surface: 226.989  Hydrophilic surface: 162.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00043399
APOLLO-ZINC00134032