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PUBCHEM-ZINC05888626

 MMsINC code: MMs03430462
Type: Neutral
Formula: C10H10Cl3NO4S2
SMILES:   Clc1cc(Cl)cc(Cl)c1NS(=O)(=O)C1CCS(=O)(=O)C1
InChI:   InChI=1/C10H10Cl3NO4S2/c11-6-3-8(12)10(9(13)4-6)14-20(17,18)7-1-2-19(15,16)5-7/h3-4,7,14H,1-2,5H2/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=48.6166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.684 g/mol  logS: -3.88751  SlogP: 2.5756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201549  Sterimol/B1: 3.36654  Sterimol/B2: 3.94878  Sterimol/B3: 4.69853
  Sterimol/B4: 6.13635  Sterimol/L: 12.4088 
 
 Surface and Volume Properties
  Accessible surface: 481.393  Positive charged surface: 154.458  Negative charged surface: 326.934  Volume: 266.375
  Hydrophobic surface: 342.371  Hydrophilic surface: 139.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.