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NCID-ZINC04404548

 MMsINC code: MMs02385274
Type: Neutral
Formula: C14H30N2O3
SMILES:   O(C(=O)COCCN(CC)CC)CCN(CC)CC
InChI:   InChI=1/C14H30N2O3/c1-5-15(6-2)9-11-18-13-14(17)19-12-10-16(7-3)8-4/h5-13H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.405 g/mol  logS: -1.24597  SlogP: 1.2298  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0835857  Sterimol/B1: 2.54492  Sterimol/B2: 3.95031  Sterimol/B3: 5.07047
  Sterimol/B4: 5.98738  Sterimol/L: 16.3285 
 
 Surface and Volume Properties
  Accessible surface: 606.414  Positive charged surface: 487.354  Negative charged surface: 119.061  Volume: 301.375
  Hydrophobic surface: 476.299  Hydrophilic surface: 130.115
 
 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


MMs02385275
NCID-ZINC04404548