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NANOSIN-ZINC01229215

 MMsINC code: MMs02193683
Type: Neutral
Formula: C8H7F3O4S2
SMILES:   S(=O)(=O)(C(F)(F)F)c1ccc(S(=O)(=O)C)cc1
InChI:   InChI=1/C8H7F3O4S2/c1-16(12,13)6-2-4-7(5-3-6)17(14,15)8(9,10)11/h2-5H,1H3

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Potential Energy
Epot(MMFF94)=73.2048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.266 g/mol  logS: -2.80521  SlogP: 1.8035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995439  Sterimol/B1: 2.72919  Sterimol/B2: 3.61619  Sterimol/B3: 3.61962
  Sterimol/B4: 4.04783  Sterimol/L: 13.3171 
 
 Surface and Volume Properties
  Accessible surface: 408.703  Positive charged surface: 121.544  Negative charged surface: 287.159  Volume: 195.625
  Hydrophobic surface: 179.195  Hydrophilic surface: 229.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.