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PUBCHEM-ZINC06196570

 MMsINC code: MMs03601828
Type: Neutral
Formula: C16H11FOS
SMILES:   S1C\C(=C/c2ccc(F)cc2)\C(=O)c2c1cccc2
InChI:   InChI=1/C16H11FOS/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9-

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Potential Energy
Epot(MMFF94)=73.4541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.327 g/mol  logS: -5.43832  SlogP: 4.1977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0499036  Sterimol/B1: 2.48527  Sterimol/B2: 2.91884  Sterimol/B3: 3.49416
  Sterimol/B4: 7.05887  Sterimol/L: 13.6935 
 
 Surface and Volume Properties
  Accessible surface: 458.304  Positive charged surface: 226.421  Negative charged surface: 231.883  Volume: 246.75
  Hydrophobic surface: 387.778  Hydrophilic surface: 70.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.