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NCID-ZINC01728515

 MMsINC code: MMs02351844
Type: Neutral
Formula: C9H9FO4S
SMILES:   S(OCC1OC1)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C9H9FO4S/c10-7-1-3-9(4-2-7)15(11,12)14-6-8-5-13-8/h1-4,8H,5-6H2/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=34.1671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.231 g/mol  logS: -2.36659  SlogP: 0.9298  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.141954  Sterimol/B1: 2.26291  Sterimol/B2: 3.96668  Sterimol/B3: 4.81115
  Sterimol/B4: 4.89632  Sterimol/L: 11.9332 
 
 Surface and Volume Properties
  Accessible surface: 404.201  Positive charged surface: 170.243  Negative charged surface: 233.958  Volume: 186
  Hydrophobic surface: 301.945  Hydrophilic surface: 102.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.