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MICROSOURCE-ZINC01482080

 MMsINC code: MMs02187804
Type: Neutral
Formula: C7H5Cl2NO4S
SMILES:   ClN(Cl)S(=O)(=O)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

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Potential Energy
Epot(MMFF94)=46.1949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.092 g/mol  logS: -3.12331  SlogP: 1.6831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733346  Sterimol/B1: 2.4474  Sterimol/B2: 3.00147  Sterimol/B3: 3.77257
  Sterimol/B4: 5.02979  Sterimol/L: 12.1256 
 
 Surface and Volume Properties
  Accessible surface: 402.937  Positive charged surface: 243.137  Negative charged surface: 159.801  Volume: 190.125
  Hydrophobic surface: 249.196  Hydrophilic surface: 153.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02187805
MICROSOURCE-ZINC01482080