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PUBCHEM-ZINC04868889

 MMsINC code: MMs03180040
Type: Neutral
Formula: C10H12FNO4S
SMILES:   S(=O)(=O)(N(CC(OC)=O)C)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S/c1-12(7-10(13)16-2)17(14,15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=34.6183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.273 g/mol  logS: -2.00159  SlogP: 0.6192  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0691807  Sterimol/B1: 2.18803  Sterimol/B2: 2.65989  Sterimol/B3: 4.34113
  Sterimol/B4: 6.51354  Sterimol/L: 14.2962 
 
 Surface and Volume Properties
  Accessible surface: 449.509  Positive charged surface: 273.866  Negative charged surface: 175.643  Volume: 218.5
  Hydrophobic surface: 358.19  Hydrophilic surface: 91.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.