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NCID-ZINC01588727

 MMsINC code: MMs02244180
Type: Neutral
Formula: C14H28N2+2
SMILES:   [NH+]1(C[NH+](C1)C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C14H26N2/c1-3-7-13(8-4-1)15-11-16(12-15)14-9-5-2-6-10-14/h13-14H,1-12H2/p+2

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Potential Energy
Epot(MMFF94)=0.435547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -1.83966  SlogP: 0.3502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747743  Sterimol/B1: 2.75761  Sterimol/B2: 3.64776  Sterimol/B3: 3.64786
  Sterimol/B4: 3.66067  Sterimol/L: 14.8504 
 
 Surface and Volume Properties
  Accessible surface: 479.226  Positive charged surface: 371.01  Negative charged surface: 58.3867  Volume: 255.25
  Hydrophobic surface: 451.261  Hydrophilic surface: 27.965
 
 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


MMs02244181
NCID-ZINC01588727