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NCID-ZINC01679008

 MMsINC code: MMs02313611
Type: Neutral
Formula: C6H14O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)C)CCC)C
InChI:   InChI=1/C6H14O4S2/c1-4-5-6(11(2,7)8)12(3,9)10/h6H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.63224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.306 g/mol  logS: -0.73781  SlogP: 0.2018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14089  Sterimol/B1: 2.96912  Sterimol/B2: 3.68866  Sterimol/B3: 4.12351
  Sterimol/B4: 4.4049  Sterimol/L: 10.8423 
 
 Surface and Volume Properties
  Accessible surface: 372.556  Positive charged surface: 199.859  Negative charged surface: 172.697  Volume: 177.125
  Hydrophobic surface: 240.138  Hydrophilic surface: 132.418
 
 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.