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ASINEX-ZINC00249375

 MMsINC code: MMs00099199
Type: Neutral
Formula: C10H7ClFNO2S2
SMILES:   Clc1cc(NS(=O)(=O)c2sccc2)ccc1F
InChI:   InChI=1/C10H7ClFNO2S2/c11-8-6-7(3-4-9(8)12)13-17(14,15)10-2-1-5-16-10/h1-6,13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.754 g/mol  logS: -4.041  SlogP: 3.3414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191404  Sterimol/B1: 2.58252  Sterimol/B2: 3.09042  Sterimol/B3: 4.34615
  Sterimol/B4: 6.2987  Sterimol/L: 12.3554 
 
 Surface and Volume Properties
  Accessible surface: 436.814  Positive charged surface: 153.979  Negative charged surface: 282.836  Volume: 220.75
  Hydrophobic surface: 350.781  Hydrophilic surface: 86.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.