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OAKWOOD-ZINC04290609

 MMsINC code: MMs02551188
Type: Neutral
Formula: C11H9FO2S
SMILES:   S(=O)(=O)(C)c1c2c(cccc2)c(F)cc1
InChI:   InChI=1/C11H9FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.7883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.255 g/mol  logS: -3.69843  SlogP: 2.3824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898145  Sterimol/B1: 2.35758  Sterimol/B2: 3.85803  Sterimol/B3: 4.41546
  Sterimol/B4: 6.17328  Sterimol/L: 10.3804 
 
 Surface and Volume Properties
  Accessible surface: 382.52  Positive charged surface: 165.48  Negative charged surface: 207.371  Volume: 190.625
  Hydrophobic surface: 320.23  Hydrophilic surface: 62.29
 
 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.