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ENAMINE-ZINC00272342

 MMsINC code: MMs01227963
Type: Neutral
Formula: C14H13NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1ccccc1
InChI:   InChI=1/C14H13NO4S/c1-19-14(16)12-9-5-6-10-13(12)15-20(17,18)11-7-3-2-4-8-11/h2-10,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.327 g/mol  logS: -3.42845  SlogP: 2.274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273104  Sterimol/B1: 2.5225  Sterimol/B2: 3.55391  Sterimol/B3: 5.36803
  Sterimol/B4: 7.77152  Sterimol/L: 11.9924 
 
 Surface and Volume Properties
  Accessible surface: 488.019  Positive charged surface: 283.671  Negative charged surface: 204.347  Volume: 254.625
  Hydrophobic surface: 387.847  Hydrophilic surface: 100.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.