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PUBCHEM-ZINC01226893

 MMsINC code: MMs02790482
Type: Neutral
Formula: C13H12Cl3N5O4S
SMILES:   ClC(Cl)(Cl)c1nc(nc(OC)n1)NC(=O)NS(=O)(=O)c1ccccc1C
InChI:   InChI=1/C13H12Cl3N5O4S/c1-7-5-3-4-6-8(7)26(23,24)21-11(22)19-10-17-9(13(14,15)16)18-12(20-10)25-2/h3-6H,1-2H3,(H2,17,18,19,20,21,22)

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Potential Energy
Epot(MMFF94)=-24.2258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.695 g/mol  logS: -6.16793  SlogP: 2.83722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125334  Sterimol/B1: 2.78771  Sterimol/B2: 3.91184  Sterimol/B3: 5.44822
  Sterimol/B4: 7.98912  Sterimol/L: 15.4207 
 
 Surface and Volume Properties
  Accessible surface: 612.928  Positive charged surface: 267.783  Negative charged surface: 345.146  Volume: 331.125
  Hydrophobic surface: 271.63  Hydrophilic surface: 341.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.