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NCID-ZINC01560532

 MMsINC code: MMs02222922
Type: Neutral
Formula: C6H10O6S
SMILES:   S(=O)(=O)(CC(OC)=O)CC(OC)=O
InChI:   InChI=1/C6H10O6S/c1-11-5(7)3-13(9,10)4-6(8)12-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.00147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.206 g/mol  logS: -0.51805  SlogP: -1.2528  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0316032  Sterimol/B1: 2.77248  Sterimol/B2: 3.03602  Sterimol/B3: 3.03615
  Sterimol/B4: 3.08179  Sterimol/L: 14.8736 
 
 Surface and Volume Properties
  Accessible surface: 398.184  Positive charged surface: 283.722  Negative charged surface: 114.462  Volume: 166.25
  Hydrophobic surface: 261.784  Hydrophilic surface: 136.4
 
 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.