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PUBCHEM-ZINC05424211

 MMsINC code: MMs03265777
Type: Neutral
Formula: C26H58N4+2
SMILES:   [N+](CCCCC)(CCN1CCN(CC1)CC[N+](CCCCC)(CC)CC)(CC)CC
InChI:   InChI=1/C26H58N4/c1-7-13-15-23-29(9-3,10-4)25-21-27-17-19-28(20-18-27)22-26-30(11-5,12-6)24-16-14-8-2/h7-26H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=194.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.778 g/mol  logS: -3.49786  SlogP: 4.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404244  Sterimol/B1: 2.43864  Sterimol/B2: 4.08006  Sterimol/B3: 5.18341
  Sterimol/B4: 8.07288  Sterimol/L: 25.3407 
 
 Surface and Volume Properties
  Accessible surface: 828.377  Positive charged surface: 678.404  Negative charged surface: 149.973  Volume: 499.25
  Hydrophobic surface: 665.519  Hydrophilic surface: 162.858
 
 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: 0
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Ions/Tautomers related molecules


MMs03265778
PUBCHEM-ZINC05424211