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NCID-ZINC04933859

 MMsINC code: MMs02416776
Type: Neutral
Formula: C19H44N2+2
SMILES:   [NH+](C([NH+](CCCC)CCCC)CC)(CCCC)CCCC
InChI:   InChI=1/C19H42N2/c1-6-11-15-20(16-12-7-2)19(10-5)21(17-13-8-3)18-14-9-4/h19H,6-18H2,1-5H3/p+2

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Potential Energy
Epot(MMFF94)=15.7761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.575 g/mol  logS: -3.92405  SlogP: 2.6927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275558  Sterimol/B1: 2.3303  Sterimol/B2: 2.43752  Sterimol/B3: 8.2314
  Sterimol/B4: 11.4083  Sterimol/L: 16.566 
 
 Surface and Volume Properties
  Accessible surface: 676.744  Positive charged surface: 538.087  Negative charged surface: 138.657  Volume: 381.75
  Hydrophobic surface: 559.879  Hydrophilic surface: 116.865
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02416777
NCID-ZINC04933859