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NCID-ZINC05329484

 MMsINC code: MMs02451859
Type: Neutral
Formula: C13H14N2O5
SMILES:   O(C(=O)C\C(=N\NC(=O)c1ccccc1)\C(OC)=O)C
InChI:   InChI=1/C13H14N2O5/c1-19-11(16)8-10(13(18)20-2)14-15-12(17)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,17)/b14-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.6761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.264 g/mol  logS: -2.76731  SlogP: 0.5085  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0456367  Sterimol/B1: 2.15601  Sterimol/B2: 2.47959  Sterimol/B3: 4.01639
  Sterimol/B4: 9.11628  Sterimol/L: 14.843 
 
 Surface and Volume Properties
  Accessible surface: 523.613  Positive charged surface: 334.406  Negative charged surface: 189.208  Volume: 254
  Hydrophobic surface: 394.685  Hydrophilic surface: 128.928
 
 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.