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PUBCHEM-ZINC00621218

 MMsINC code: MMs02714277
Type: Neutral
Formula: C10H12FNO4S
SMILES:   S(=O)(=O)(NC(C)C)c1cc(ccc1F)C(O)=O
InChI:   InChI=1/C10H12FNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=12.8903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.273 g/mol  logS: -2.14166  SlogP: 1.2106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933435  Sterimol/B1: 3.04134  Sterimol/B2: 4.26901  Sterimol/B3: 4.40764
  Sterimol/B4: 4.69249  Sterimol/L: 13.3713 
 
 Surface and Volume Properties
  Accessible surface: 426.512  Positive charged surface: 225.005  Negative charged surface: 201.507  Volume: 212.125
  Hydrophobic surface: 211.823  Hydrophilic surface: 214.689
 
 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


MMs02714278
PUBCHEM-ZINC00621218