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ASINEX-ZINC06678633

 MMsINC code: MMs00442841
Type: Neutral
Formula: C12H12N2O3S2
SMILES:   s1cc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N
InChI:   InChI=1/C12H12N2O3S2/c13-12(15)11-6-10(8-18-11)19(16,17)14-7-9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.3923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -3.04955  SlogP: 1.5919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686198  Sterimol/B1: 3.33956  Sterimol/B2: 3.90826  Sterimol/B3: 4.01085
  Sterimol/B4: 6.1296  Sterimol/L: 15.381 
 
 Surface and Volume Properties
  Accessible surface: 503.568  Positive charged surface: 232.138  Negative charged surface: 271.43  Volume: 248
  Hydrophobic surface: 309.779  Hydrophilic surface: 193.789
 
 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.