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PUBCHEM-ZINC02005697

 MMsINC code: MMs02846047
Type: Neutral
Formula: C12H4Br2F2O2
SMILES:   Brc1cc2Oc3cc(F)c(F)cc3Oc2cc1Br
InChI:   InChI=1/C12H4Br2F2O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

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Potential Energy
Epot(MMFF94)=50.3976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.966 g/mol  logS: -6.89902  SlogP: 5.3878  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.39604e-07  Sterimol/B1: 2.16431  Sterimol/B2: 2.16845  Sterimol/B3: 2.56443
  Sterimol/B4: 5.3392  Sterimol/L: 13.6231 
 
 Surface and Volume Properties
  Accessible surface: 456.361  Positive charged surface: 145.3  Negative charged surface: 311.061  Volume: 235.375
  Hydrophobic surface: 456.361  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.