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NCID-ZINC01685899

 MMsINC code: MMs02318998
Type: Neutral
Formula: C16H16N2O4
SMILES:   O(CCOC(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChI:   InChI=1/C16H16N2O4/c19-15(17-13-7-3-1-4-8-13)21-11-12-22-16(20)18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.2576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.314 g/mol  logS: -3.73704  SlogP: 3.4838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301501  Sterimol/B1: 3.27216  Sterimol/B2: 3.69985  Sterimol/B3: 3.9893
  Sterimol/B4: 5.27816  Sterimol/L: 19.7877 
 
 Surface and Volume Properties
  Accessible surface: 581.396  Positive charged surface: 362.365  Negative charged surface: 219.032  Volume: 285.125
  Hydrophobic surface: 461.059  Hydrophilic surface: 120.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.