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PUBCHEM-ZINC05776247

 MMsINC code: MMs03382795
Type: Neutral
Formula: C13H8FNO5S2
SMILES:   S(=O)(=O)(N1S(=O)(=O)c2c(cccc2)C1=O)c1ccc(F)cc1
InChI:   InChI=1/C13H8FNO5S2/c14-9-5-7-10(8-6-9)21(17,18)15-13(16)11-3-1-2-4-12(11)22(15,19)20/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.26114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.339 g/mol  logS: -4.1684  SlogP: 1.3591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135391  Sterimol/B1: 3.03996  Sterimol/B2: 3.11372  Sterimol/B3: 5.07382
  Sterimol/B4: 5.14989  Sterimol/L: 13.7812 
 
 Surface and Volume Properties
  Accessible surface: 483.609  Positive charged surface: 183.364  Negative charged surface: 300.246  Volume: 253
  Hydrophobic surface: 340.437  Hydrophilic surface: 143.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: no related molecules available.