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CHEMBLOCK-ZINC04771213

 MMsINC code: MMs00578550
Type: Neutral
Formula: C10H22O4S2
SMILES:   S(=O)(=O)(CCCC)CCS(=O)(=O)CCCC
InChI:   InChI=1/C10H22O4S2/c1-3-5-7-15(11,12)9-10-16(13,14)8-6-4-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.46035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.414 g/mol  logS: -1.90128  SlogP: 1.4162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242709  Sterimol/B1: 3.03565  Sterimol/B2: 3.03608  Sterimol/B3: 3.06627
  Sterimol/B4: 3.45457  Sterimol/L: 19.194 
 
 Surface and Volume Properties
  Accessible surface: 526.042  Positive charged surface: 336.155  Negative charged surface: 189.887  Volume: 252.625
  Hydrophobic surface: 364.267  Hydrophilic surface: 161.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.