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CHEMBLOCK-ZINC02492165

 MMsINC code: MMs00532236
Type: Neutral
Formula: C10H12N2O4S4
SMILES:   s1cccc1S(=O)(=O)NCCNS(=O)(=O)c1sccc1
InChI:   InChI=1/C10H12N2O4S4/c13-19(14,9-3-1-7-17-9)11-5-6-12-20(15,16)10-4-2-8-18-10/h1-4,7-8,11-12H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.2928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.48 g/mol  logS: -2.7852  SlogP: 1.0664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121004  Sterimol/B1: 2.42964  Sterimol/B2: 4.05861  Sterimol/B3: 4.45235
  Sterimol/B4: 6.24015  Sterimol/L: 14.2785 
 
 Surface and Volume Properties
  Accessible surface: 536.442  Positive charged surface: 213.683  Negative charged surface: 322.76  Volume: 270.75
  Hydrophobic surface: 366.226  Hydrophilic surface: 170.216
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.