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CHEMSTAR-ZINC02810242

 MMsINC code: MMs01082474
Type: Neutral
Formula: C5H12O5S3
SMILES:   S(=O)(=O)(CCC)CCSS(O)(=O)=O
InChI:   InChI=1/C5H12O5S3/c1-2-4-12(6,7)5-3-11-13(8,9)10/h2-5H2,1H3,(H,8,9,10)

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Potential Energy
Epot(MMFF94)=-15.6209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.344 g/mol  logS: -1.35504  SlogP: -0.2185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789138  Sterimol/B1: 2.54384  Sterimol/B2: 3.08114  Sterimol/B3: 3.73285
  Sterimol/B4: 4.98128  Sterimol/L: 13.5093 
 
 Surface and Volume Properties
  Accessible surface: 412.982  Positive charged surface: 198.663  Negative charged surface: 214.319  Volume: 185.5
  Hydrophobic surface: 174.279  Hydrophilic surface: 238.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01082475
CHEMSTAR-ZINC02810242