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ENAMINE-ZINC05120094

 MMsINC code: MMs01589355
Type: Neutral
Formula: C6H5ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)N)ccc1F
InChI:   InChI=1/C6H5ClFNO2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.13453 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: 0.102523  Sterimol/B1: 2.48501  Sterimol/B2: 2.83338  Sterimol/B3: 3.12771
  Sterimol/B4: 5.86847  Sterimol/L: 10.1997 
 
 Surface and Volume Properties
  Accessible surface: 342.74  Positive charged surface: 123.726  Negative charged surface: 219.014  Volume: 150.125
  Hydrophobic surface: 211.678  Hydrophilic surface: 131.062
 
 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


MMs01589356
ENAMINE-ZINC05120094