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PUBCHEM-ZINC02515947

 MMsINC code: MMs02891437
Type: Neutral
Formula: C11H28N4
SMILES:   N(CCCCN)CCCNCCCCN
InChI:   InChI=1/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.2827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.373 g/mol  logS: 0.48401  SlogP: 0.0335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151049  Sterimol/B1: 2.32498  Sterimol/B2: 2.44468  Sterimol/B3: 2.69884
  Sterimol/B4: 3.12874  Sterimol/L: 21.4909 
 
 Surface and Volume Properties
  Accessible surface: 558.471  Positive charged surface: 498.416  Negative charged surface: 60.0546  Volume: 256.625
  Hydrophobic surface: 385.184  Hydrophilic surface: 173.287
 
 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


MMs02891438
PUBCHEM-ZINC02515947