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NCID-ZINC04958314

 MMsINC code: MMs02418518
Type: Neutral
Formula: C14H27NO4
SMILES:   O(C(=O)CCCN(CCCC)CC(OCC)=O)CC
InChI:   InChI=1/C14H27NO4/c1-4-7-10-15(12-14(17)19-6-3)11-8-9-13(16)18-5-2/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.373 g/mol  logS: -2.08708  SlogP: 1.9949  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0486199  Sterimol/B1: 2.53418  Sterimol/B2: 2.54587  Sterimol/B3: 3.90927
  Sterimol/B4: 11.5503  Sterimol/L: 17.2224 
 
 Surface and Volume Properties
  Accessible surface: 612.219  Positive charged surface: 472.182  Negative charged surface: 140.037  Volume: 290.5
  Hydrophobic surface: 466.959  Hydrophilic surface: 145.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02418519
NCID-ZINC04958314