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NCID-ZINC01592747

 MMsINC code: MMs02247182
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(N(CC)CC)CCC(=O)N(CC)CC
InChI:   InChI=1/C12H24N2O2/c1-5-13(6-2)11(15)9-10-12(16)14(7-3)8-4/h5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.6527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -0.79638  SlogP: 1.5034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571967  Sterimol/B1: 2.63888  Sterimol/B2: 3.02637  Sterimol/B3: 3.44236
  Sterimol/B4: 6.6164  Sterimol/L: 13.9831 
 
 Surface and Volume Properties
  Accessible surface: 493.063  Positive charged surface: 363.718  Negative charged surface: 129.345  Volume: 250.375
  Hydrophobic surface: 353.956  Hydrophilic surface: 139.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.