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PUBCHEM-ZINC05223945

MMsINC code: MMs03225200

Type: Ionized
Formula: C6H3Cl2O2S-
SMILES:   Clc1cc(S(=O)[O-])ccc1Cl
InChI:   InChI=1/C6H4Cl2O2S/c7-5-2-1-4(11(9)10)3-6(5)8/h1-3H,(H,9,10)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=17.8398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.06 g/mol  logS: -3.12453  SlogP: 2.2314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616076  Sterimol/B1: 2.48675  Sterimol/B2: 3.08582  Sterimol/B3: 3.0863
  Sterimol/B4: 6.2226  Sterimol/L: 10.5276 
 
 Surface and Volume Properties
  Accessible surface: 339.513  Positive charged surface: 98.1418  Negative charged surface: 241.371  Volume: 151.25
  Hydrophobic surface: 267.518  Hydrophilic surface: 71.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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MMs03225199
PUBCHEM-ZINC05223945