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PUBCHEM-ZINC00370621

 MMsINC code: MMs02665397
Type: Neutral
Formula: C13H11Cl2NO2S
SMILES:   Clc1cc(ccc1Cl)CNS(=O)(=O)c1ccccc1
InChI:   InChI=1/C13H11Cl2NO2S/c14-12-7-6-10(8-13(12)15)9-16-19(17,18)11-4-2-1-3-5-11/h1-8,16H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.208 g/mol  logS: -4.45934  SlogP: 3.7383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104341  Sterimol/B1: 3.2826  Sterimol/B2: 3.35356  Sterimol/B3: 4.90821
  Sterimol/B4: 5.5195  Sterimol/L: 15.2869 
 
 Surface and Volume Properties
  Accessible surface: 508.959  Positive charged surface: 195.348  Negative charged surface: 313.611  Volume: 260.5
  Hydrophobic surface: 425.252  Hydrophilic surface: 83.707
 
 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.