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PUBCHEM-ZINC06095493

 MMsINC code: MMs03541575
Type: Neutral
Formula: C8H4Cl2FNO2S2
SMILES:   ClC(Cl)=C(SSc1ccccc1[N+](=O)[O-])F
InChI:   InChI=1/C8H4Cl2FNO2S2/c9-7(10)8(11)16-15-6-4-2-1-3-5(6)12(13)14/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.161 g/mol  logS: -6.9034  SlogP: 5.1266  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.081553  Sterimol/B1: 2.74767  Sterimol/B2: 3.73126  Sterimol/B3: 3.75372
  Sterimol/B4: 6.55985  Sterimol/L: 12.3048 
 
 Surface and Volume Properties
  Accessible surface: 432.364  Positive charged surface: 93.1994  Negative charged surface: 339.165  Volume: 210.75
  Hydrophobic surface: 343.261  Hydrophilic surface: 89.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.