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CHEMDIV-ZINC01146004

 MMsINC code: MMs00863264
Type: Neutral
Formula: C10H6BrF2NO2S2
SMILES:   Brc1sc(S(=O)(=O)Nc2cc(F)c(F)cc2)cc1
InChI:   InChI=1/C10H6BrF2NO2S2/c11-9-3-4-10(17-9)18(15,16)14-6-1-2-7(12)8(13)5-6/h1-5,14H

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Potential Energy
Epot(MMFF94)=34.9432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.195 g/mol  logS: -5.00334  SlogP: 3.5896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275859  Sterimol/B1: 2.49188  Sterimol/B2: 4.62107  Sterimol/B3: 4.90287
  Sterimol/B4: 5.33361  Sterimol/L: 12.3314 
 
 Surface and Volume Properties
  Accessible surface: 464.319  Positive charged surface: 135.721  Negative charged surface: 328.598  Volume: 232.125
  Hydrophobic surface: 381.147  Hydrophilic surface: 83.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.