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PUBCHEM-ZINC04831266

 MMsINC code: MMs03177058
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(N(C)C)CCCCCCC(=O)N(C)C
InChI:   InChI=1/C12H24N2O2/c1-13(2)11(15)9-7-5-6-8-10-12(16)14(3)4/h5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.9176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -0.92152  SlogP: 1.5034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180376  Sterimol/B1: 2.51226  Sterimol/B2: 2.51302  Sterimol/B3: 2.57304
  Sterimol/B4: 4.51688  Sterimol/L: 18.1129 
 
 Surface and Volume Properties
  Accessible surface: 527.234  Positive charged surface: 467.233  Negative charged surface: 60.0009  Volume: 254.125
  Hydrophobic surface: 462.367  Hydrophilic surface: 64.867
 
 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.