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PUBCHEM-ZINC02564765

 MMsINC code: MMs02901715
Type: Neutral
Formula: C10H22N2O6S2
SMILES:   S(O)(=O)(=O)CCCN1CCN(CC1)CCCS(O)(=O)=O
InChI:   InChI=1/C10H22N2O6S2/c13-19(14,15)9-1-3-11-5-7-12(8-6-11)4-2-10-20(16,17)18/h1-10H2,(H,13,14,15)(H,16,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.426 g/mol  logS: 0.0202  SlogP: -1.9716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379527  Sterimol/B1: 2.3674  Sterimol/B2: 3.27706  Sterimol/B3: 3.91718
  Sterimol/B4: 6.76342  Sterimol/L: 18.5524 
 
 Surface and Volume Properties
  Accessible surface: 554.37  Positive charged surface: 354.364  Negative charged surface: 200.006  Volume: 271.125
  Hydrophobic surface: 303.111  Hydrophilic surface: 251.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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.