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ENAMINE-ZINC00040510

 MMsINC code: MMs01222317
Type: Neutral
Formula: C12H8Cl2O2S
SMILES:   Clc1cc(S(=O)(=O)c2ccccc2)ccc1Cl
InChI:   InChI=1/C12H8Cl2O2S/c13-11-7-6-10(8-12(11)14)17(15,16)9-4-2-1-3-5-9/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.166 g/mol  logS: -4.81801  SlogP: 3.8262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156791  Sterimol/B1: 2.8784  Sterimol/B2: 3.78242  Sterimol/B3: 4.59312
  Sterimol/B4: 5.29906  Sterimol/L: 13.0884 
 
 Surface and Volume Properties
  Accessible surface: 452.151  Positive charged surface: 145.769  Negative charged surface: 306.382  Volume: 231.625
  Hydrophobic surface: 395.561  Hydrophilic surface: 56.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.