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PUBCHEM-ZINC02019645

MMsINC code: MMs02855251

Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(N(C)C)CCCCCCCC(=O)N(C)C
InChI:   InChI=1/C13H26N2O2/c1-14(2)12(16)10-8-6-5-7-9-11-13(17)15(3)4/h5-11H2,1-4H3

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=20.6906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.43674  SlogP: 1.8935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0158778  Sterimol/B1: 2.51203  Sterimol/B2: 2.51303  Sterimol/B3: 2.67168
  Sterimol/B4: 4.27403  Sterimol/L: 19.3872 
 
 Surface and Volume Properties
  Accessible surface: 560.63  Positive charged surface: 497.395  Negative charged surface: 63.235  Volume: 273.25
  Hydrophobic surface: 496.141  Hydrophilic surface: 64.489
 
 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.