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ENAMINE-ZINC03138796

 MMsINC code: MMs01291130
Type: Neutral
Formula: C17H20O4S2
SMILES:   S(=O)(=O)(CCCCCS(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C17H20O4S2/c18-22(19,16-10-4-1-5-11-16)14-8-3-9-15-23(20,21)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2

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Potential Energy
Epot(MMFF94)=52.5994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.475 g/mol  logS: -4.06591  SlogP: 3.1045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557691  Sterimol/B1: 2.18608  Sterimol/B2: 3.61712  Sterimol/B3: 3.62475
  Sterimol/B4: 5.42784  Sterimol/L: 19.4811 
 
 Surface and Volume Properties
  Accessible surface: 609.663  Positive charged surface: 314.537  Negative charged surface: 295.126  Volume: 316.125
  Hydrophobic surface: 499.08  Hydrophilic surface: 110.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.