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ENAMINE-ZINC00216076

 MMsINC code: MMs01226964
Type: Neutral
Formula: C9H10FNO4S
SMILES:   S(=O)(=O)(NCCC(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=-6.63009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.246 g/mol  logS: -1.3956  SlogP: 0.5787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115807  Sterimol/B1: 2.29956  Sterimol/B2: 4.00859  Sterimol/B3: 4.84779
  Sterimol/B4: 5.16023  Sterimol/L: 12.793 
 
 Surface and Volume Properties
  Accessible surface: 422.138  Positive charged surface: 208.343  Negative charged surface: 213.795  Volume: 197.625
  Hydrophobic surface: 240.296  Hydrophilic surface: 181.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01226965
ENAMINE-ZINC00216076