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PUBCHEM-ZINC03805539

 MMsINC code: MMs03076825
Type: Ionized
Formula: C10H27N5+2
SMILES:   [NH2+]1CCNCCNCC[NH2+]CCNCC1
InChI:   InChI=1/C10H25N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h11-15H,1-10H2/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.361 g/mol  logS: 1.4747  SlogP: -4.1044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125464  Sterimol/B1: 2.27029  Sterimol/B2: 2.41585  Sterimol/B3: 3.72413
  Sterimol/B4: 8.07478  Sterimol/L: 11.2434 
 
 Surface and Volume Properties
  Accessible surface: 445.051  Positive charged surface: 432.845  Negative charged surface: 12.2059  Volume: 244.5
  Hydrophobic surface: 335.902  Hydrophilic surface: 109.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 2
  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: 0
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Parent related molecule:


MMs03076824
PUBCHEM-ZINC03805539