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ENAMINE-ZINC00469715

 MMsINC code: MMs01231102
Type: Neutral
Formula: C11H16N2O4S
SMILES:   S(=O)(=O)(NC(C)C)c1ccc(OCC(=O)N)cc1
InChI:   InChI=1/C11H16N2O4S/c1-8(2)13-18(15,16)10-5-3-9(4-6-10)17-7-11(12)14/h3-6,8,13H,7H2,1-2H3,(H2,12,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.325 g/mol  logS: -2.20622  SlogP: 0.2374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086758  Sterimol/B1: 2.56991  Sterimol/B2: 3.439  Sterimol/B3: 4.36833
  Sterimol/B4: 6.10403  Sterimol/L: 15.1945 
 
 Surface and Volume Properties
  Accessible surface: 491.064  Positive charged surface: 293.776  Negative charged surface: 197.288  Volume: 239.125
  Hydrophobic surface: 249.308  Hydrophilic surface: 241.756
 
 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.