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PUBCHEM-ZINC02165012

 MMsINC code: MMs02878558
Type: Neutral
Formula: C7H6Cl2O3S
SMILES:   Clc1cc(S(O)(=O)=O)cc(Cl)c1C
InChI:   InChI=1/C7H6Cl2O3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=14.5246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.094 g/mol  logS: -3.064  SlogP: 1.98282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493148  Sterimol/B1: 2.78252  Sterimol/B2: 2.79907  Sterimol/B3: 4.74476
  Sterimol/B4: 4.74571  Sterimol/L: 10.8128 
 
 Surface and Volume Properties
  Accessible surface: 373.7  Positive charged surface: 115.531  Negative charged surface: 258.169  Volume: 173.625
  Hydrophobic surface: 254.557  Hydrophilic surface: 119.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02878559
PUBCHEM-ZINC02165012