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PUBCHEM-ZINC06527954

 MMsINC code: MMs03783795
Type: Neutral
Formula: C7H9FN4O2S
SMILES:   S(=O)(=O)(NN=C(N)N)c1ccc(F)cc1
InChI:   InChI=1/C7H9FN4O2S/c8-5-1-3-6(4-2-5)15(13,14)12-11-7(9)10/h1-4,12H,(H4,9,10,11)

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Potential Energy
Epot(MMFF94)=32.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.239 g/mol  logS: -2.23294  SlogP: -0.7076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149689  Sterimol/B1: 2.32341  Sterimol/B2: 4.24308  Sterimol/B3: 4.31361
  Sterimol/B4: 5.52889  Sterimol/L: 11.6306 
 
 Surface and Volume Properties
  Accessible surface: 408.405  Positive charged surface: 216.537  Negative charged surface: 191.869  Volume: 182.875
  Hydrophobic surface: 184.794  Hydrophilic surface: 223.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.