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PUBCHEM-ZINC06627063

 MMsINC code: MMs03828917
Type: Neutral
Formula: C12H18FNO4S
SMILES:   S(=O)(=O)(N(CCOC)CCOC)c1ccc(F)cc1
InChI:   InChI=1/C12H18FNO4S/c1-17-9-7-14(8-10-18-2)19(15,16)12-5-3-11(13)4-6-12/h3-6H,7-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=63.7007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.343 g/mol  logS: -1.8787  SlogP: 1.1092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123211  Sterimol/B1: 2.91376  Sterimol/B2: 2.98416  Sterimol/B3: 4.62187
  Sterimol/B4: 6.78633  Sterimol/L: 13.4795 
 
 Surface and Volume Properties
  Accessible surface: 472.024  Positive charged surface: 342.623  Negative charged surface: 129.401  Volume: 259
  Hydrophobic surface: 425.875  Hydrophilic surface: 46.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.