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CHEMBRIDGE-ZINC03895816

 MMsINC code: MMs00756799
Type: Neutral
Formula: C14H30N2O4
SMILES:   O1CCN(CCOCCOCCOCCN(CC1)C)C
InChI:   InChI=1/C14H30N2O4/c1-15-3-7-17-8-4-16(2)6-10-19-12-14-20-13-11-18-9-5-15/h3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.404 g/mol  logS: -0.10572  SlogP: -0.07  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118766  Sterimol/B1: 2.7946  Sterimol/B2: 3.63506  Sterimol/B3: 5.21661
  Sterimol/B4: 7.14217  Sterimol/L: 12.2722 
 
 Surface and Volume Properties
  Accessible surface: 509.466  Positive charged surface: 474.71  Negative charged surface: 34.7564  Volume: 303.375
  Hydrophobic surface: 474.71  Hydrophilic surface: 34.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs00756800
CHEMBRIDGE-ZINC03895816