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CHEMBRIDGE-ZINC00469834

 MMsINC code: MMs00626373
Type: Neutral
Formula: C13H16N2O4
SMILES:   OC(=O)c1cc(NC(=O)CC)cc(NC(=O)CC)c1
InChI:   InChI=1/C13H16N2O4/c1-3-11(16)14-9-5-8(13(18)19)6-10(7-9)15-12(17)4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -2.17672  SlogP: 2.0818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430614  Sterimol/B1: 2.56151  Sterimol/B2: 3.10137  Sterimol/B3: 5.0083
  Sterimol/B4: 8.41953  Sterimol/L: 12.4054 
 
 Surface and Volume Properties
  Accessible surface: 508.825  Positive charged surface: 346.551  Negative charged surface: 162.275  Volume: 246.375
  Hydrophobic surface: 292.718  Hydrophilic surface: 216.107
 
 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


MMs00626374
CHEMBRIDGE-ZINC00469834