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PUBCHEM-ZINC00109562

 MMsINC code: MMs02633153
Type: Ionized
Formula: C6H4ClFNO2S-
SMILES:   Clc1cc(F)ccc1S(=O)([O-])=[NH]
InChI:   InChI=1/C6H4ClFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H-,9,10,11)/q-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.62 g/mol  logS: -2.66515  SlogP: 1.4507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694891  Sterimol/B1: 2.67257  Sterimol/B2: 3.08769  Sterimol/B3: 3.36448
  Sterimol/B4: 5.71282  Sterimol/L: 10.0726 
 
 Surface and Volume Properties
  Accessible surface: 329.652  Positive charged surface: 89.228  Negative charged surface: 240.424  Volume: 149.375
  Hydrophobic surface: 225.686  Hydrophilic surface: 103.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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:


MMs02633152
PUBCHEM-ZINC00109562