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NCID-ZINC01625017

 MMsINC code: MMs02271883
Type: Neutral
Formula: C7H9FN2O4S2
SMILES:   S(=O)(=O)(NNS(=O)(=O)C)c1ccc(F)cc1
InChI:   InChI=1/C7H9FN2O4S2/c1-15(11,12)9-10-16(13,14)7-4-2-6(8)3-5-7/h2-5,9-10H,1H3

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Potential Energy
Epot(MMFF94)=53.2007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.289 g/mol  logS: -2.0035  SlogP: -0.4318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121438  Sterimol/B1: 2.53195  Sterimol/B2: 4.12953  Sterimol/B3: 4.24919
  Sterimol/B4: 5.13851  Sterimol/L: 13.0272 
 
 Surface and Volume Properties
  Accessible surface: 421.619  Positive charged surface: 173.869  Negative charged surface: 247.75  Volume: 196.375
  Hydrophobic surface: 260.393  Hydrophilic surface: 161.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.