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NCID-ZINC01574359

 MMsINC code: MMs02233547
Type: Neutral
Formula: C7H7F2NO3S
SMILES:   S(O)(=O)(=O)CNc1cc(F)cc(F)c1
InChI:   InChI=1/C7H7F2NO3S/c8-5-1-6(9)3-7(2-5)10-4-14(11,12)13/h1-3,10H,4H2,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=49.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.199 g/mol  logS: -1.49735  SlogP: 0.6563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839721  Sterimol/B1: 2.5567  Sterimol/B2: 3.13754  Sterimol/B3: 3.1652
  Sterimol/B4: 5.58727  Sterimol/L: 11.3705 
 
 Surface and Volume Properties
  Accessible surface: 367.12  Positive charged surface: 164.088  Negative charged surface: 203.032  Volume: 161.5
  Hydrophobic surface: 220.912  Hydrophilic surface: 146.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs02233548
NCID-ZINC01574359