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PUBCHEM-ZINC00571875

 MMsINC code: MMs02707014
Type: Neutral
Formula: C8H11NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)NC)cc1
InChI:   InChI=1/C8H11NO2S2/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.88045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.313 g/mol  logS: -2.24426  SlogP: 1.3166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912319  Sterimol/B1: 2.17543  Sterimol/B2: 2.34715  Sterimol/B3: 4.58433
  Sterimol/B4: 5.64944  Sterimol/L: 12.0364 
 
 Surface and Volume Properties
  Accessible surface: 394.816  Positive charged surface: 215.962  Negative charged surface: 178.855  Volume: 187
  Hydrophobic surface: 262.326  Hydrophilic surface: 132.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.