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PUBCHEM-ZINC05955257

 MMsINC code: MMs03458971
Type: Neutral
Formula: C14H32N2O2+2
SMILES:   O1CC[N+](CC1)(CCOCC[N+](CC)(CC)C)C
InChI:   InChI=1/C14H32N2O2/c1-5-15(3,6-2)7-11-17-12-8-16(4)9-13-18-14-10-16/h5-14H2,1-4H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=167.278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.422 g/mol  logS: -0.2141  SlogP: 0.9662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133835  Sterimol/B1: 2.39474  Sterimol/B2: 2.76003  Sterimol/B3: 5.21224
  Sterimol/B4: 5.75304  Sterimol/L: 13.5589 
 
 Surface and Volume Properties
  Accessible surface: 491.017  Positive charged surface: 438.689  Negative charged surface: 52.3283  Volume: 285.5
  Hydrophobic surface: 390.72  Hydrophilic surface: 100.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.