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ASINEX-ZINC00304113

 MMsINC code: MMs00114614
Type: Neutral
Formula: C13H12ClNO2S
SMILES:   Clc1ccccc1NS(=O)(=O)Cc1ccccc1
InChI:   InChI=1/C13H12ClNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h1-9,15H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.763 g/mol  logS: -3.72505  SlogP: 3.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731376  Sterimol/B1: 2.80507  Sterimol/B2: 3.52873  Sterimol/B3: 4.09302
  Sterimol/B4: 5.41361  Sterimol/L: 13.8662 
 
 Surface and Volume Properties
  Accessible surface: 471.508  Positive charged surface: 216.064  Negative charged surface: 255.444  Volume: 244.875
  Hydrophobic surface: 402.711  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.