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ENAMINE-ZINC05937032

 MMsINC code: MMs01646065
Type: Ionized
Formula: C6H4ClFNO2S-
SMILES:   Clc1cc(F)c(S(=O)([O-])=[NH])cc1
InChI:   InChI=1/C6H4ClFNO2S/c7-4-1-2-6(5(8)3-4)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)=16.2961 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: 0.0687805  Sterimol/B1: 2.66576  Sterimol/B2: 3.09524  Sterimol/B3: 3.35315
  Sterimol/B4: 4.88979  Sterimol/L: 10.9652 
 
 Surface and Volume Properties
  Accessible surface: 337.483  Positive charged surface: 89.9962  Negative charged surface: 247.487  Volume: 147.75
  Hydrophobic surface: 231.088  Hydrophilic surface: 106.395
 
 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:


MMs01646064
ENAMINE-ZINC05937032