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ENAMINE-ZINC03190973

 MMsINC code: MMs01301155
Type: Neutral
Formula: C10H14ClNO4S2
SMILES:   ClCCCCS(=O)(=O)NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C10H14ClNO4S2/c11-8-4-5-9-17(13,14)12-18(15,16)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2

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Potential Energy
Epot(MMFF94)=-34.7683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.81 g/mol  logS: -2.89741  SlogP: 1.3137  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0608687  Sterimol/B1: 2.99618  Sterimol/B2: 3.81544  Sterimol/B3: 3.94044
  Sterimol/B4: 5.95265  Sterimol/L: 16.146 
 
 Surface and Volume Properties
  Accessible surface: 500.227  Positive charged surface: 235.437  Negative charged surface: 264.79  Volume: 247.25
  Hydrophobic surface: 300.684  Hydrophilic surface: 199.543
 
 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.