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PUBCHEM-ZINC06793166

 MMsINC code: MMs03861431
Type: Neutral
Formula: C11H25NO2S2
SMILES:   S(=S)(OC)(=O)CCCCCCCCCCN
InChI:   InChI=1/C11H25NO2S2/c1-14-16(13,15)11-9-7-5-3-2-4-6-8-10-12/h2-12H2,1H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=35.6822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.458 g/mol  logS: -3.76887  SlogP: 2.3736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195404  Sterimol/B1: 2.93686  Sterimol/B2: 3.02851  Sterimol/B3: 3.71969
  Sterimol/B4: 3.77447  Sterimol/L: 20.8225 
 
 Surface and Volume Properties
  Accessible surface: 552.36  Positive charged surface: 416.65  Negative charged surface: 135.71  Volume: 268.125
  Hydrophobic surface: 392.427  Hydrophilic surface: 159.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03861432
PUBCHEM-ZINC06793166