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ASINEX-ZINC04188165

 MMsINC code: MMs00316308
Type: Neutral
Formula: C12H16N2O4
SMILES:   O=C1N(CCC1)C(=O)CCC(=O)N1CCCC1=O
InChI:   InChI=1/C12H16N2O4/c15-9-3-1-7-13(9)11(17)5-6-12(18)14-8-2-4-10(14)16/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.17802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.27 g/mol  logS: -0.72722  SlogP: 0.0646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025725  Sterimol/B1: 2.56433  Sterimol/B2: 2.92126  Sterimol/B3: 3.38445
  Sterimol/B4: 4.04414  Sterimol/L: 15.6294 
 
 Surface and Volume Properties
  Accessible surface: 467.899  Positive charged surface: 335.779  Negative charged surface: 132.12  Volume: 231.25
  Hydrophobic surface: 335.998  Hydrophilic surface: 131.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.