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PUBCHEM-ZINC04841149

 MMsINC code: MMs03178113
Type: Neutral
Formula: C14H21NO4S2
SMILES:   S(=O)(=O)(C)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1
InChI:   InChI=1/C14H21NO4S2/c1-20(16,17)13-9-6-10-14(11-13)21(18,19)15-12-7-4-2-3-5-8-12/h6,9-12,15H,2-5,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=34.6439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.457 g/mol  logS: -3.34991  SlogP: 2.0912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167455  Sterimol/B1: 2.81255  Sterimol/B2: 2.92521  Sterimol/B3: 5.36281
  Sterimol/B4: 7.39615  Sterimol/L: 13.2912 
 
 Surface and Volume Properties
  Accessible surface: 506.595  Positive charged surface: 292.527  Negative charged surface: 214.068  Volume: 290.25
  Hydrophobic surface: 369.78  Hydrophilic surface: 136.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.