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SIAL-ZINC04800509

 MMsINC code: MMs03925924
Type: Neutral
Formula: C7H6F3NO4S2
SMILES:   S(=O)(=O)(C(F)(F)F)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C7H6F3NO4S2/c8-7(9,10)16(12,13)5-1-3-6(4-2-5)17(11,14)15/h1-4H,(H2,11,14,15)

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Potential Energy
Epot(MMFF94)=42.5482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.254 g/mol  logS: -2.89113  SlogP: 1.0474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974559  Sterimol/B1: 2.41989  Sterimol/B2: 3.11117  Sterimol/B3: 3.41594
  Sterimol/B4: 4.81569  Sterimol/L: 12.9951 
 
 Surface and Volume Properties
  Accessible surface: 406.612  Positive charged surface: 122.503  Negative charged surface: 284.108  Volume: 188.875
  Hydrophobic surface: 111.821  Hydrophilic surface: 294.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03925925
SIAL-ZINC04800509