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PUBCHEM-ZINC01164550

 MMsINC code: MMs02781529
Type: Neutral
Formula: C14H16N2O4S3
SMILES:   S(c1ccc(S(=O)(=O)NC)cc1)c1ccc(S(=O)(=O)NC)cc1
InChI:   InChI=1/C14H16N2O4S3/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.7312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.49 g/mol  logS: -3.9061  SlogP: 1.654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778269  Sterimol/B1: 2.43605  Sterimol/B2: 2.93082  Sterimol/B3: 5.4268
  Sterimol/B4: 5.96271  Sterimol/L: 17.0908 
 
 Surface and Volume Properties
  Accessible surface: 575.322  Positive charged surface: 326.746  Negative charged surface: 248.576  Volume: 309.25
  Hydrophobic surface: 362.187  Hydrophilic surface: 213.135
 
 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.