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PUBCHEM-ZINC02803646

 MMsINC code: MMs02931178
Type: Neutral
Formula: C11H16FNO3S
SMILES:   S(=O)(=O)(NCCCOCC)c1ccc(F)cc1
InChI:   InChI=1/C11H16FNO3S/c1-2-16-9-3-8-13-17(14,15)11-6-4-10(12)5-7-11/h4-7,13H,2-3,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=4.58256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.317 g/mol  logS: -2.18946  SlogP: 1.5306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068037  Sterimol/B1: 3.07506  Sterimol/B2: 3.90759  Sterimol/B3: 4.41861
  Sterimol/B4: 5.26964  Sterimol/L: 15.2267 
 
 Surface and Volume Properties
  Accessible surface: 492.443  Positive charged surface: 300.927  Negative charged surface: 191.516  Volume: 234.125
  Hydrophobic surface: 379.671  Hydrophilic surface: 112.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.