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PUBCHEM-ZINC05424517

 MMsINC code: MMs03266029
Type: Neutral
Formula: C24H52N4+2
SMILES:   [N+]1(CCN(CC1)CCCCCCCCCCN1CC[N+](CC1)(CC)C)(CC)C
InChI:   InChI=1/C24H52N4/c1-5-27(3)21-17-25(18-22-27)15-13-11-9-7-8-10-12-14-16-26-19-23-28(4,6-2)24-20-26/h5-24H2,1-4H3/q+2

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Potential Energy
Epot(MMFF94)=160.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.708 g/mol  logS: -2.7414  SlogP: 3.6714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237754  Sterimol/B1: 2.19751  Sterimol/B2: 2.30393  Sterimol/B3: 4.93157
  Sterimol/B4: 5.20873  Sterimol/L: 26.7655 
 
 Surface and Volume Properties
  Accessible surface: 804.216  Positive charged surface: 733.962  Negative charged surface: 70.2538  Volume: 462.5
  Hydrophobic surface: 700.758  Hydrophilic surface: 103.458
 
 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


MMs03266030
PUBCHEM-ZINC05424517