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ACROSORGANICS-ZINC00173414

 MMsINC code: MMs00006469
Type: Neutral
Formula: C9H8Cl2O2S
SMILES:   ClC1(Cl)CC1S(=O)(=O)c1ccccc1
InChI:   InChI=1/C9H8Cl2O2S/c10-9(11)6-8(9)14(12,13)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=40.6286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.133 g/mol  logS: -3.4627  SlogP: 2.8264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132484  Sterimol/B1: 3.88156  Sterimol/B2: 3.89748  Sterimol/B3: 4.01126
  Sterimol/B4: 4.16926  Sterimol/L: 11.3016 
 
 Surface and Volume Properties
  Accessible surface: 403.793  Positive charged surface: 137.707  Negative charged surface: 266.085  Volume: 198.875
  Hydrophobic surface: 223.212  Hydrophilic surface: 180.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.