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PUBCHEM-ZINC06042118

 MMsINC code: MMs03509000
Type: Neutral
Formula: C13H29NO2S
SMILES:   S(=O)(=O)(N(CCCCCC)CCCCCC)C
InChI:   InChI=1/C13H29NO2S/c1-4-6-8-10-12-14(17(3,15)16)13-11-9-7-5-2/h4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.0527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.446 g/mol  logS: -3.62386  SlogP: 3.4086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536268  Sterimol/B1: 2.21894  Sterimol/B2: 2.51276  Sterimol/B3: 4.30743
  Sterimol/B4: 8.22882  Sterimol/L: 17.737 
 
 Surface and Volume Properties
  Accessible surface: 564.923  Positive charged surface: 412.021  Negative charged surface: 152.902  Volume: 286.875
  Hydrophobic surface: 459.624  Hydrophilic surface: 105.299
 
 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.