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PUBCHEM-ZINC03776794

 MMsINC code: MMs03075718
Type: Neutral
Formula: C14H34N4
SMILES:   N(CCCCNCCCNCC)CCCNCC
InChI:   InChI=1/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.5587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -0.1198  SlogP: 0.945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103803  Sterimol/B1: 2.27831  Sterimol/B2: 2.47565  Sterimol/B3: 2.81755
  Sterimol/B4: 3.23694  Sterimol/L: 25.639 
 
 Surface and Volume Properties
  Accessible surface: 663.229  Positive charged surface: 577.715  Negative charged surface: 85.5138  Volume: 315.125
  Hydrophobic surface: 542.028  Hydrophilic surface: 121.201
 
 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


MMs03075719
PUBCHEM-ZINC03776794