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ENAMINE-ZINC03328368

 MMsINC code: MMs01374976
Type: Neutral
Formula: C11H9Cl2NO2S2
SMILES:   Clc1cccc(NS(=O)(=O)c2sc(Cl)cc2)c1C
InChI:   InChI=1/C11H9Cl2NO2S2/c1-7-8(12)3-2-4-9(7)14-18(15,16)11-6-5-10(13)17-11/h2-6,14H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.236 g/mol  logS: -4.95204  SlogP: 4.16412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333266  Sterimol/B1: 2.22765  Sterimol/B2: 3.30108  Sterimol/B3: 5.68753
  Sterimol/B4: 6.74537  Sterimol/L: 11.6326 
 
 Surface and Volume Properties
  Accessible surface: 468.764  Positive charged surface: 159.281  Negative charged surface: 309.483  Volume: 248
  Hydrophobic surface: 393.138  Hydrophilic surface: 75.626
 
 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.