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ASINEX-ZINC00193552

 MMsINC code: MMs00089324
Type: Neutral
Formula: C13H11Cl2NO4S
SMILES:   Clc1cc(NS(=O)(=O)c2ccc(OC)cc2)cc(Cl)c1O
InChI:   InChI=1/C13H11Cl2NO4S/c1-20-9-2-4-10(5-3-9)21(18,19)16-8-6-11(14)13(17)12(15)7-8/h2-7,16-17H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.4472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.206 g/mol  logS: -4.20373  SlogP: 3.5084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126689  Sterimol/B1: 3.63428  Sterimol/B2: 3.79148  Sterimol/B3: 3.98427
  Sterimol/B4: 6.8551  Sterimol/L: 14.4609 
 
 Surface and Volume Properties
  Accessible surface: 522.678  Positive charged surface: 247.421  Negative charged surface: 275.258  Volume: 273.5
  Hydrophobic surface: 391.677  Hydrophilic surface: 131.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.