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NCID-ZINC01602271

 MMsINC code: MMs02255137
Type: Tautomer
Formula: C14H32N2+2
SMILES:   [NH2+](CCCC)C1CCCCC1[NH2+]CCCC
InChI:   InChI=1/C14H30N2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h13-16H,3-12H2,1-2H3/p+2/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=47.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -2.11996  SlogP: 1.0246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664658  Sterimol/B1: 2.30727  Sterimol/B2: 2.69433  Sterimol/B3: 3.18998
  Sterimol/B4: 9.43619  Sterimol/L: 15.0087 
 
 Surface and Volume Properties
  Accessible surface: 551.707  Positive charged surface: 467.279  Negative charged surface: 84.4281  Volume: 281.625
  Hydrophobic surface: 472.778  Hydrophilic surface: 78.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02255136
NCID-ZINC01602271