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PUBCHEM-ZINC00109562

 MMsINC code: MMs02633152
Type: Neutral
Formula: C6H5ClFNO2S
SMILES:   Clc1cc(F)ccc1S(=O)(=O)N
InChI:   InChI=1/C6H5ClFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.12737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.628 g/mol  logS: -2.64076  SlogP: 1.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917033  Sterimol/B1: 2.66864  Sterimol/B2: 2.6725  Sterimol/B3: 3.58547
  Sterimol/B4: 5.59227  Sterimol/L: 10.3179 
 
 Surface and Volume Properties
  Accessible surface: 334.192  Positive charged surface: 124.118  Negative charged surface: 210.074  Volume: 150
  Hydrophobic surface: 211.774  Hydrophilic surface: 122.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02633153
PUBCHEM-ZINC00109562