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PUBCHEM-ZINC02752573

 MMsINC code: MMs02916982
Type: Neutral
Formula: C18H9Cl4FN2O6S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc([N+](=
O)[O-])c(F)cc1
InChI:   InChI=1/C18H9Cl4FN2O6S2/c19-10-1-4-13(21)17(7-10)32(28,29)25(12-3-6-15(23)16(9-12)24(26)27)33(30,31)18-8-11(20)2-5-14(18)22/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 574.22 g/mol  logS: -9.01005  SlogP: 5.9317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160426  Sterimol/B1: 2.72834  Sterimol/B2: 5.35087  Sterimol/B3: 6.12702
  Sterimol/B4: 9.09015  Sterimol/L: 14.6496 
 
 Surface and Volume Properties
  Accessible surface: 643.502  Positive charged surface: 178.008  Negative charged surface: 465.494  Volume: 397.75
  Hydrophobic surface: 494.258  Hydrophilic surface: 149.244
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.