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PUBCHEM-ZINC03823782

 MMsINC code: MMs03077263
Type: Neutral
Formula: C14H34N8
SMILES:   N1CC2(N)CNCCNCC(N)(CNCC1)CNCCNC2
InChI:   InChI=1/C14H34N8/c15-13-7-17-1-2-18-8-14(16,11-21-5-3-19-9-13)12-22-6-4-20-10-13/h17-22H,1-12,15-16H2/t13-,14+

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Potential Energy
Epot(MMFF94)=228.03 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.482 g/mol  logS: 2.12742  SlogP: -4.0538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.63127  Sterimol/B1: 2.16418  Sterimol/B2: 3.58937  Sterimol/B3: 7.10044
  Sterimol/B4: 7.51392  Sterimol/L: 12.0851 
 
 Surface and Volume Properties
  Accessible surface: 491.999  Positive charged surface: 447.938  Negative charged surface: 44.0605  Volume: 320.75
  Hydrophobic surface: 343.776  Hydrophilic surface: 148.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  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


MMs03077264
PUBCHEM-ZINC03823782