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PUBCHEM-ZINC05841928

 MMsINC code: MMs03411241
Type: Neutral
Formula: C11H26N4
SMILES:   N1CCCCNCCNCCCNCC1
InChI:   InChI=1/C11H26N4/c1-2-5-13-9-11-15-7-3-6-14-10-8-12-4-1/h12-15H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.8606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.357 g/mol  logS: 0.58755  SlogP: -0.4713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142152  Sterimol/B1: 2.76217  Sterimol/B2: 3.17789  Sterimol/B3: 5.01119
  Sterimol/B4: 6.17038  Sterimol/L: 11.1945 
 
 Surface and Volume Properties
  Accessible surface: 438.855  Positive charged surface: 403.126  Negative charged surface: 35.7295  Volume: 242
  Hydrophobic surface: 368.66  Hydrophilic surface: 70.195
 
 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


MMs03411242
PUBCHEM-ZINC05841928