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KEYORGANICS-ZINC01397041

 MMsINC code: MMs02103831
Type: Neutral
Formula: C9H8Cl2O3S
SMILES:   Clc1cc(ccc1Cl)C(=O)CS(=O)(=O)C
InChI:   InChI=1/C9H8Cl2O3S/c1-15(13,14)5-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3

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Potential Energy
Epot(MMFF94)=34.6025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.132 g/mol  logS: -3.26954  SlogP: 2.2207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289198  Sterimol/B1: 3.03408  Sterimol/B2: 3.0376  Sterimol/B3: 4.44205
  Sterimol/B4: 4.55678  Sterimol/L: 14.1253 
 
 Surface and Volume Properties
  Accessible surface: 431.201  Positive charged surface: 153.684  Negative charged surface: 277.517  Volume: 206.5
  Hydrophobic surface: 336.142  Hydrophilic surface: 95.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.