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ASINEX-ZINC00086342

 MMsINC code: MMs00072406
Type: Neutral
Formula: C7H5ClF2O2S
SMILES:   Clc1ccc(S(=O)(=O)C(F)F)cc1
InChI:   InChI=1/C7H5ClF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.63 g/mol  logS: -2.34373  SlogP: 2.7562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133608  Sterimol/B1: 2.421  Sterimol/B2: 3.0372  Sterimol/B3: 3.26542
  Sterimol/B4: 4.81661  Sterimol/L: 11.5471 
 
 Surface and Volume Properties
  Accessible surface: 354.818  Positive charged surface: 108.225  Negative charged surface: 246.594  Volume: 161
  Hydrophobic surface: 221.529  Hydrophilic surface: 133.289
 
 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.