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PUBCHEM-ZINC03632027

 MMsINC code: MMs03027988
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(CCC)CC(=O)N1CCN(CC1)C(=O)COCCC
InChI:   InChI=1/C14H26N2O4/c1-3-9-19-11-13(17)15-5-7-16(8-6-15)14(18)12-20-10-4-2/h3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.21578  SlogP: 0.5104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218628  Sterimol/B1: 2.07526  Sterimol/B2: 2.82491  Sterimol/B3: 3.19496
  Sterimol/B4: 6.67042  Sterimol/L: 20.8862 
 
 Surface and Volume Properties
  Accessible surface: 589.067  Positive charged surface: 470.195  Negative charged surface: 118.872  Volume: 297
  Hydrophobic surface: 462.461  Hydrophilic surface: 126.606
 
 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.