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PUBCHEM-ZINC02753800

 MMsINC code: MMs02917198
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   S(=O)(=O)(NC(CNS(=O)(=O)c1ccccc1)C)c1ccccc1
InChI:   InChI=1/C15H18N2O4S2/c1-13(17-23(20,21)15-10-6-3-7-11-15)12-16-22(18,19)14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=12.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.18239  SlogP: 1.3319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142972  Sterimol/B1: 1.969  Sterimol/B2: 4.3764  Sterimol/B3: 4.90642
  Sterimol/B4: 8.38386  Sterimol/L: 14.5117 
 
 Surface and Volume Properties
  Accessible surface: 561.946  Positive charged surface: 280.85  Negative charged surface: 281.097  Volume: 308.5
  Hydrophobic surface: 407.021  Hydrophilic surface: 154.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.