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PUBCHEM-ZINC05820626

 MMsINC code: MMs03399593
Type: Neutral
Formula: C12H26O2S2
SMILES:   S(S(=O)CCCCCC)(=O)CCCCCC
InChI:   InChI=1/C12H26O2S2/c1-3-5-7-9-11-15(13)16(14)12-10-8-6-4-2/h3-12H2,1-2H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=17.9495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.47 g/mol  logS: -4.37304  SlogP: 3.5594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015983  Sterimol/B1: 2.37587  Sterimol/B2: 2.74298  Sterimol/B3: 3.0121
  Sterimol/B4: 3.34146  Sterimol/L: 21.7223 
 
 Surface and Volume Properties
  Accessible surface: 572.948  Positive charged surface: 442.821  Negative charged surface: 130.127  Volume: 277.5
  Hydrophobic surface: 438.148  Hydrophilic surface: 134.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.