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PUBCHEM-ZINC05568817

 MMsINC code: MMs03309381
Type: Neutral
Formula: C11H16N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NC)C1=O
InChI:   InChI=1/C11H16N4O5/c1-3-4-5-14-8(17)9(18)15(11(14)20)6-7(16)13-10(19)12-2/h3-6H2,1-2H3,(H2,12,13,16,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.8182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.272 g/mol  logS: -1.76111  SlogP: -0.9671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492777  Sterimol/B1: 2.65442  Sterimol/B2: 2.71468  Sterimol/B3: 4.11091
  Sterimol/B4: 5.72926  Sterimol/L: 18.1738 
 
 Surface and Volume Properties
  Accessible surface: 525.165  Positive charged surface: 362.262  Negative charged surface: 162.903  Volume: 250
  Hydrophobic surface: 273.008  Hydrophilic surface: 252.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.