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ASINEX-ZINC00272492

 MMsINC code: MMs00104925
Type: Neutral
Formula: C14H15NO2S2
SMILES:   S(C)c1ccccc1NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H15NO2S2/c1-11-7-9-12(10-8-11)19(16,17)15-13-5-3-4-6-14(13)18-2/h3-10,15H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.7428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.411 g/mol  logS: -4.54204  SlogP: 3.51772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298064  Sterimol/B1: 3.14823  Sterimol/B2: 3.56594  Sterimol/B3: 6.26119
  Sterimol/B4: 6.4679  Sterimol/L: 12.9357 
 
 Surface and Volume Properties
  Accessible surface: 494.748  Positive charged surface: 253.813  Negative charged surface: 240.935  Volume: 266
  Hydrophobic surface: 387.663  Hydrophilic surface: 107.085
 
 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.