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ACROSORGANICS-ZINC01555814

 MMsINC code: MMs00009189
Type: Neutral
Formula: C6H4Cl2O4S
SMILES:   Clc1cc(Cl)cc(S(O)(=O)=O)c1O
InChI:   InChI=1/C6H4Cl2O4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=14.6727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.066 g/mol  logS: -2.54158  SlogP: 1.38  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525448  Sterimol/B1: 2.36581  Sterimol/B2: 3.36263  Sterimol/B3: 3.78914
  Sterimol/B4: 5.65944  Sterimol/L: 9.95253 
 
 Surface and Volume Properties
  Accessible surface: 366.031  Positive charged surface: 103.214  Negative charged surface: 262.817  Volume: 165.125
  Hydrophobic surface: 215.448  Hydrophilic surface: 150.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00009190
ACROSORGANICS-ZINC01555814