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ASINEX-ZINC00304083

 MMsINC code: MMs00114603
Type: Neutral
Formula: C13H11Cl2NO2S
SMILES:   Clc1cc(Cl)ccc1NS(=O)(=O)Cc1ccccc1
InChI:   InChI=1/C13H11Cl2NO2S/c14-11-6-7-13(12(15)8-11)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.8457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.208 g/mol  logS: -4.45934  SlogP: 4.2017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073652  Sterimol/B1: 2.92339  Sterimol/B2: 3.62733  Sterimol/B3: 4.10716
  Sterimol/B4: 5.50559  Sterimol/L: 14.7194 
 
 Surface and Volume Properties
  Accessible surface: 497.188  Positive charged surface: 193.733  Negative charged surface: 303.455  Volume: 259
  Hydrophobic surface: 428.391  Hydrophilic surface: 68.797
 
 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.