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CHEMDIV-ZINC00479466

 MMsINC code: MMs00853884
Type: Neutral
Formula: C10H7BrFNO2S2
SMILES:   Brc1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChI:   InChI=1/C10H7BrFNO2S2/c11-9-5-6-10(16-9)17(14,15)13-8-3-1-7(12)2-4-8/h1-6,13H

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Potential Energy
Epot(MMFF94)=34.0754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.205 g/mol  logS: -4.70836  SlogP: 3.4505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268542  Sterimol/B1: 2.49722  Sterimol/B2: 4.5997  Sterimol/B3: 4.93029
  Sterimol/B4: 5.09222  Sterimol/L: 12.3177 
 
 Surface and Volume Properties
  Accessible surface: 458.979  Positive charged surface: 148.416  Negative charged surface: 310.563  Volume: 231.875
  Hydrophobic surface: 375.603  Hydrophilic surface: 83.376
 
 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.