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PUBCHEM-ZINC05113145

 MMsINC code: MMs03201492
Type: Neutral
Formula: C18H42N4
SMILES:   N(CCCCCCNCCCCCCN)CCCCCCN
InChI:   InChI=1/C18H42N4/c19-13-7-1-3-9-15-21-17-11-5-6-12-18-22-16-10-4-2-8-14-20/h21-22H,1-20H2

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Potential Energy
Epot(MMFF94)=-11.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.562 g/mol  logS: -0.92838  SlogP: 2.7642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00755915  Sterimol/B1: 2.22002  Sterimol/B2: 2.4291  Sterimol/B3: 2.53554
  Sterimol/B4: 3.14444  Sterimol/L: 30.2415 
 
 Surface and Volume Properties
  Accessible surface: 768.631  Positive charged surface: 682.348  Negative charged surface: 86.2822  Volume: 383.125
  Hydrophobic surface: 599.049  Hydrophilic surface: 169.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03201493
PUBCHEM-ZINC05113145