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MAYBRIDGE-ZINC00096557

 MMsINC code: MMs02131072
Type: Neutral
Formula: C11H9FO2S2
SMILES:   s1cccc1S(=O)(=O)Cc1ccccc1F
InChI:   InChI=1/C11H9FO2S2/c12-10-5-2-1-4-9(10)8-16(13,14)11-6-3-7-15-11/h1-7H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.3229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.321 g/mol  logS: -3.55346  SlogP: 3.1275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398501  Sterimol/B1: 2.72231  Sterimol/B2: 2.73287  Sterimol/B3: 3.41429
  Sterimol/B4: 4.96712  Sterimol/L: 14.1465 
 
 Surface and Volume Properties
  Accessible surface: 430.15  Positive charged surface: 179.134  Negative charged surface: 251.016  Volume: 213.5
  Hydrophobic surface: 378.368  Hydrophilic surface: 51.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.