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PUBCHEM-ZINC06460188

 MMsINC code: MMs03748144
Type: Neutral
Formula: C10H7F3O2S
SMILES:   s1cccc1\C=C/C(=O)CC(=O)C(F)(F)F
InChI:   InChI=1/C10H7F3O2S/c11-10(12,13)9(15)6-7(14)3-4-8-2-1-5-16-8/h1-5H,6H2/b4-3-

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Potential Energy
Epot(MMFF94)=78.5689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.224 g/mol  logS: -3.29854  SlogP: 3.2718  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0584511  Sterimol/B1: 2.52848  Sterimol/B2: 3.11813  Sterimol/B3: 3.87573
  Sterimol/B4: 5.3517  Sterimol/L: 12.2303 
 
 Surface and Volume Properties
  Accessible surface: 410.496  Positive charged surface: 155.191  Negative charged surface: 255.305  Volume: 192.375
  Hydrophobic surface: 261.322  Hydrophilic surface: 149.174
 
 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.