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MAYBRIDGE-ZINC00067361

 MMsINC code: MMs02126944
Type: Neutral
Formula: C6H7FN2O2S
SMILES:   S(=O)(=O)(NN)c1ccc(F)cc1
InChI:   InChI=1/C6H7FN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.198 g/mol  logS: -1.8864  SlogP: -0.0223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14589  Sterimol/B1: 2.74255  Sterimol/B2: 2.74829  Sterimol/B3: 4.04711
  Sterimol/B4: 4.81014  Sterimol/L: 10.0472 
 
 Surface and Volume Properties
  Accessible surface: 340.658  Positive charged surface: 164.067  Negative charged surface: 176.591  Volume: 146.375
  Hydrophobic surface: 184.744  Hydrophilic surface: 155.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.