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PUBCHEM-ZINC05554891

 MMsINC code: MMs03305618
Type: Neutral
Formula: C22H48N2
SMILES:   N(CCCCCCCCCCN(CCC)CCC)(CCC)CCC
InChI:   InChI=1/C22H48N2/c1-5-17-23(18-6-2)21-15-13-11-9-10-12-14-16-22-24(19-7-3)20-8-4/h5-22H2,1-4H3

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Potential Energy
Epot(MMFF94)=21.6732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.64 g/mol  logS: -4.3702  SlogP: 6.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145883  Sterimol/B1: 2.41084  Sterimol/B2: 2.87852  Sterimol/B3: 3.33378
  Sterimol/B4: 8.60303  Sterimol/L: 23.0278 
 
 Surface and Volume Properties
  Accessible surface: 813.377  Positive charged surface: 667.978  Negative charged surface: 145.399  Volume: 426.75
  Hydrophobic surface: 719.185  Hydrophilic surface: 94.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03305619
PUBCHEM-ZINC05554891