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PUBCHEM-ZINC03823486

 MMsINC code: MMs03077252
Type: Neutral
Formula: C15H36N4
SMILES:   N(CCCCCCCCCNCCCN)CCCN
InChI:   InChI=1/C15H36N4/c16-10-8-14-18-12-6-4-2-1-3-5-7-13-19-15-9-11-17/h18-19H,1-17H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.1892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.481 g/mol  logS: -1.26342  SlogP: 1.5939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100468  Sterimol/B1: 2.20951  Sterimol/B2: 2.46433  Sterimol/B3: 2.57615
  Sterimol/B4: 3.15506  Sterimol/L: 26.5051 
 
 Surface and Volume Properties
  Accessible surface: 680.038  Positive charged surface: 604.561  Negative charged surface: 75.4771  Volume: 329.875
  Hydrophobic surface: 507.439  Hydrophilic surface: 172.599
 
 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


MMs03077253
PUBCHEM-ZINC03823486