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ASINEX-ZINC00116241

 MMsINC code: MMs00077385
Type: Neutral
Formula: C10H10N2O3S2
SMILES:   s1c2cc(S(=O)(=O)C)ccc2nc1NC(=O)C
InChI:   InChI=1/C10H10N2O3S2/c1-6(13)11-10-12-8-4-3-7(17(2,14)15)5-9(8)16-10/h3-5H,1-2H3,(H,11,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.333 g/mol  logS: -3.02187  SlogP: 1.6582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350087  Sterimol/B1: 2.88063  Sterimol/B2: 3.39784  Sterimol/B3: 3.97573
  Sterimol/B4: 4.23462  Sterimol/L: 15.2345 
 
 Surface and Volume Properties
  Accessible surface: 459.866  Positive charged surface: 225.489  Negative charged surface: 234.378  Volume: 220.75
  Hydrophobic surface: 307.227  Hydrophilic surface: 152.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.