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PUBCHEM-ZINC01135182

 MMsINC code: MMs02776845
Type: Neutral
Formula: C18H13Cl2FN2O4S2
SMILES:   Clc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChI:   InChI=1/C18H13Cl2FN2O4S2/c19-12-1-10-18(17(20)11-12)23-29(26,27)16-8-4-14(5-9-16)22-28(24,25)15-6-2-13(21)3-7-15/h1-11,22-23H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.348 g/mol  logS: -6.47212  SlogP: 4.7341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134029  Sterimol/B1: 2.77954  Sterimol/B2: 5.11887  Sterimol/B3: 5.42931
  Sterimol/B4: 6.03445  Sterimol/L: 16.1922 
 
 Surface and Volume Properties
  Accessible surface: 638.393  Positive charged surface: 230.426  Negative charged surface: 407.967  Volume: 365.5
  Hydrophobic surface: 483.14  Hydrophilic surface: 155.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.