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PUBCHEM-ZINC03805539

 MMsINC code: MMs03076824
Type: Neutral
Formula: C10H25N5
SMILES:   N1CCNCCNCCNCCNCC1
InChI:   InChI=1/C10H25N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h11-15H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.345 g/mol  logS: 1.42592  SlogP: -2.052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121268  Sterimol/B1: 2.28832  Sterimol/B2: 2.74541  Sterimol/B3: 3.05915
  Sterimol/B4: 8.29706  Sterimol/L: 11.1071 
 
 Surface and Volume Properties
  Accessible surface: 432.531  Positive charged surface: 394.316  Negative charged surface: 38.215  Volume: 236.5
  Hydrophobic surface: 316.779  Hydrophilic surface: 115.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03076825
PUBCHEM-ZINC03805539