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MAYBRIDGE-ZINC01043148

 MMsINC code: MMs02154992
Type: Neutral
Formula: C7H7Cl2N3O2S
SMILES:   Clc1cc(S(=O)(=O)NC(N)=N)ccc1Cl
InChI:   InChI=1/C7H7Cl2N3O2S/c8-5-2-1-4(3-6(5)9)15(13,14)12-7(10)11/h1-3H,(H4,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-32.4629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.124 g/mol  logS: -3.42661  SlogP: 1.16517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20682  Sterimol/B1: 2.70986  Sterimol/B2: 3.23005  Sterimol/B3: 4.28585
  Sterimol/B4: 6.21714  Sterimol/L: 11.806 
 
 Surface and Volume Properties
  Accessible surface: 406.942  Positive charged surface: 149.595  Negative charged surface: 257.347  Volume: 197
  Hydrophobic surface: 218.512  Hydrophilic surface: 188.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.