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PUBCHEM-ZINC02173728

 MMsINC code: MMs02881210
Type: Neutral
Formula: C14H28N2O2
SMILES:   O=C(N(CC)CC)CCCCC(=O)N(CC)CC
InChI:   InChI=1/C14H28N2O2/c1-5-15(6-2)13(17)11-9-10-12-14(18)16(7-3)8-4/h5-12H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -1.19992  SlogP: 2.2836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365376  Sterimol/B1: 2.58555  Sterimol/B2: 2.93445  Sterimol/B3: 3.45763
  Sterimol/B4: 6.61533  Sterimol/L: 16.4752 
 
 Surface and Volume Properties
  Accessible surface: 554.839  Positive charged surface: 418.136  Negative charged surface: 136.704  Volume: 283.875
  Hydrophobic surface: 415.733  Hydrophilic surface: 139.106
 
 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.