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ALFAAESAR-ZINC00071547

 MMsINC code: MMs00019450
Type: Neutral
Formula: C11H12N2O4
SMILES:   OC(=O)c1cc(NC(=O)C)c(NC(=O)C)cc1
InChI:   InChI=1/C11H12N2O4/c1-6(14)12-9-4-3-8(11(16)17)5-10(9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.227 g/mol  logS: -1.77318  SlogP: 1.3016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029378  Sterimol/B1: 2.43266  Sterimol/B2: 2.5592  Sterimol/B3: 2.79471
  Sterimol/B4: 8.12435  Sterimol/L: 12.7649 
 
 Surface and Volume Properties
  Accessible surface: 450.872  Positive charged surface: 268.743  Negative charged surface: 182.129  Volume: 211.375
  Hydrophobic surface: 263.676  Hydrophilic surface: 187.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00019451
ALFAAESAR-ZINC00071547