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ENAMINE-ZINC01017562

 MMsINC code: MMs01237492
Type: Neutral
Formula: C14H8Cl2FNO4S4
SMILES:   Clc1sc(S(=O)(=O)N(S(=O)(=O)c2sc(Cl)cc2)c2ccccc2F)cc1
InChI:   InChI=1/C14H8Cl2FNO4S4/c15-11-5-7-13(23-11)25(19,20)18(10-4-2-1-3-9(10)17)26(21,22)14-8-6-12(16)24-14/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.389 g/mol  logS: -7.30378  SlogP: 4.8397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155162  Sterimol/B1: 3.05124  Sterimol/B2: 3.24606  Sterimol/B3: 5.20467
  Sterimol/B4: 8.35106  Sterimol/L: 17.0813 
 
 Surface and Volume Properties
  Accessible surface: 587.291  Positive charged surface: 164.162  Negative charged surface: 423.128  Volume: 335
  Hydrophobic surface: 514.366  Hydrophilic surface: 72.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.