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ENAMINE-ZINC00040535

 MMsINC code: MMs01222319
Type: Neutral
Formula: C12H9FO2S
SMILES:   S(=O)(=O)(c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C12H9FO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.7346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.266 g/mol  logS: -3.64441  SlogP: 2.6585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154964  Sterimol/B1: 2.24152  Sterimol/B2: 3.61816  Sterimol/B3: 3.62042
  Sterimol/B4: 5.19601  Sterimol/L: 12.2266 
 
 Surface and Volume Properties
  Accessible surface: 412.963  Positive charged surface: 171.717  Negative charged surface: 241.246  Volume: 205.625
  Hydrophobic surface: 356.373  Hydrophilic surface: 56.59
 
 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.