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PUBCHEM-ZINC00474234

 MMsINC code: MMs02688169
Type: Neutral
Formula: C10H16N2O4S2
SMILES:   S(=O)(=O)(Nc1ccccc1NS(=O)(=O)CC)CC
InChI:   InChI=1/C10H16N2O4S2/c1-3-17(13,14)11-9-7-5-6-8-10(9)12-18(15,16)4-2/h5-8,11-12H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.38 g/mol  logS: -1.71526  SlogP: 1.2098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103142  Sterimol/B1: 3.25848  Sterimol/B2: 3.44235  Sterimol/B3: 4.29975
  Sterimol/B4: 5.89731  Sterimol/L: 13.8717 
 
 Surface and Volume Properties
  Accessible surface: 482.744  Positive charged surface: 254.633  Negative charged surface: 228.111  Volume: 243.25
  Hydrophobic surface: 290.987  Hydrophilic surface: 191.757
 
 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.