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ENAMINE-ZINC05120094

 MMsINC code: MMs01589356
Type: Ionized
Formula: C6H4ClFNO2S-
SMILES:   Clc1cc(S(=O)([O-])=[NH])ccc1F
InChI:   InChI=1/C6H4ClFNO2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/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)=20.4923 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: 0.0945164  Sterimol/B1: 2.42816  Sterimol/B2: 2.87042  Sterimol/B3: 3.27615
  Sterimol/B4: 5.97909  Sterimol/L: 10.0304 
 
 Surface and Volume Properties
  Accessible surface: 339.273  Positive charged surface: 95.2298  Negative charged surface: 244.043  Volume: 147.75
  Hydrophobic surface: 234.439  Hydrophilic surface: 104.834
 
 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:


MMs01589355
ENAMINE-ZINC05120094