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PUBCHEM-ZINC04740488

 MMsINC code: MMs03164570
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   S(=O)(=O)(NCC)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChI:   InChI=1/C15H18N2O4S2/c1-2-16-23(20,21)15-10-8-14(9-11-15)17-22(18,19)12-13-6-4-3-5-7-13/h3-11,16-17H,2,12H2,1H3

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Potential Energy
Epot(MMFF94)=26.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.15595  SlogP: 2.1931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611551  Sterimol/B1: 2.9388  Sterimol/B2: 3.82416  Sterimol/B3: 4.63263
  Sterimol/B4: 5.14989  Sterimol/L: 18.0385 
 
 Surface and Volume Properties
  Accessible surface: 581.048  Positive charged surface: 319.7  Negative charged surface: 261.348  Volume: 304.75
  Hydrophobic surface: 398.647  Hydrophilic surface: 182.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.