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PEAKDALE-ZINC01739645

 MMsINC code: MMs02614655
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)CC1(CCCC1)CC(=O)NCCCN(C)C
InChI:   InChI=1/C14H26N2O3/c1-16(2)9-5-8-15-12(17)10-14(11-13(18)19)6-3-4-7-14/h3-11H2,1-2H3,(H,15,17)(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.6844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -1.78306  SlogP: 1.4795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617936  Sterimol/B1: 2.33226  Sterimol/B2: 3.34257  Sterimol/B3: 4.4823
  Sterimol/B4: 6.70132  Sterimol/L: 16.588 
 
 Surface and Volume Properties
  Accessible surface: 539.857  Positive charged surface: 444.221  Negative charged surface: 95.6356  Volume: 278.375
  Hydrophobic surface: 425.671  Hydrophilic surface: 114.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.