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NCID-ZINC05700801

 MMsINC code: MMs02486872
Type: Neutral
Formula: C24H50N2+2
SMILES:   [N+]1(CCCCCCC1)(CCCCCCCC[N+]1(CCCCCCC1)C)C
InChI:   InChI=1/C24H50N2/c1-25(21-15-9-5-10-16-22-25)19-13-7-3-4-8-14-20-26(2)23-17-11-6-12-18-24-26/h3-24H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=184.575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.678 g/mol  logS: -3.90536  SlogP: 6.1484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418913  Sterimol/B1: 2.20775  Sterimol/B2: 3.95346  Sterimol/B3: 4.14811
  Sterimol/B4: 6.47536  Sterimol/L: 21.1978 
 
 Surface and Volume Properties
  Accessible surface: 703.145  Positive charged surface: 613.313  Negative charged surface: 89.8321  Volume: 429.125
  Hydrophobic surface: 657.052  Hydrophilic surface: 46.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.