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ENAMINE-ZINC03888138

 MMsINC code: MMs01529189
Type: Neutral
Formula: C14H8Cl2F3NO4S
SMILES:   Clc1ccc(cc1S(=O)(=O)Nc1cc(Cl)ccc1C(O)=O)C(F)(F)F
InChI:   InChI=1/C14H8Cl2F3NO4S/c15-8-2-3-9(13(21)22)11(6-8)20-25(23,24)12-5-7(14(17,18)19)1-4-10(12)16/h1-6,20H,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.187 g/mol  logS: -5.54125  SlogP: 4.8227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110377  Sterimol/B1: 2.91373  Sterimol/B2: 4.72692  Sterimol/B3: 5.22058
  Sterimol/B4: 5.86206  Sterimol/L: 14.1226 
 
 Surface and Volume Properties
  Accessible surface: 517.2  Positive charged surface: 159.374  Negative charged surface: 357.825  Volume: 290.5
  Hydrophobic surface: 273.406  Hydrophilic surface: 243.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules


MMs01529190
ENAMINE-ZINC03888138