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PUBCHEM-ZINC00621218

 MMsINC code: MMs02714278
Type: Ionized
Formula: C10H11FNO4S-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.75164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.265 g/mol  logS: -2.40211  SlogP: -0.1241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204118  Sterimol/B1: 3.6346  Sterimol/B2: 4.35125  Sterimol/B3: 4.47246
  Sterimol/B4: 4.63247  Sterimol/L: 12.5722 
 
 Surface and Volume Properties
  Accessible surface: 429.123  Positive charged surface: 196.169  Negative charged surface: 232.954  Volume: 213.375
  Hydrophobic surface: 220.768  Hydrophilic surface: 208.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02714277
PUBCHEM-ZINC00621218