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ENAMINE-ZINC05446740

 MMsINC code: MMs01614819
Type: Neutral
Formula: C10H11F3O3S2
SMILES:   S(CCS(OCC(F)(F)F)(=O)=O)c1ccccc1
InChI:   InChI=1/C10H11F3O3S2/c11-10(12,13)8-16-18(14,15)7-6-17-9-4-2-1-3-5-9/h1-5H,6-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.321 g/mol  logS: -3.855  SlogP: 3.1073  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0303  Sterimol/B1: 2.53101  Sterimol/B2: 3.38479  Sterimol/B3: 3.68763
  Sterimol/B4: 4.45397  Sterimol/L: 15.8693 
 
 Surface and Volume Properties
  Accessible surface: 483.366  Positive charged surface: 179.26  Negative charged surface: 304.106  Volume: 226.75
  Hydrophobic surface: 262.911  Hydrophilic surface: 220.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.