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MAYBRIDGE-ZINC01048918

 MMsINC code: MMs02157726
Type: Neutral
Formula: C13H9Cl3N2O2S
SMILES:   Clc1cc(S(=O)(=O)NC(=N)c2ccc(Cl)cc2)ccc1Cl
InChI:   InChI=1/C13H9Cl3N2O2S/c14-9-3-1-8(2-4-9)13(17)18-21(19,20)10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.652 g/mol  logS: -5.98159  SlogP: 3.95067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153783  Sterimol/B1: 3.74398  Sterimol/B2: 4.14841  Sterimol/B3: 4.69938
  Sterimol/B4: 6.05696  Sterimol/L: 15.3751 
 
 Surface and Volume Properties
  Accessible surface: 528.737  Positive charged surface: 156.085  Negative charged surface: 372.652  Volume: 279
  Hydrophobic surface: 429.747  Hydrophilic surface: 98.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.