logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05178774

 MMsINC code: MMs03221009
Type: Ionized
Formula: C10H20N5+
SMILES:   [NH2+](CCNCCC#N)CCNCCC#N
InChI:   InChI=1/C10H19N5/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h13-15H,1-2,5-10H2/p+1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=31.6768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.305 g/mol  logS: 0.61445  SlogP: -1.44363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218724  Sterimol/B1: 2.47619  Sterimol/B2: 2.56308  Sterimol/B3: 2.9137
  Sterimol/B4: 3.5502  Sterimol/L: 20.4218 
 
 Surface and Volume Properties
  Accessible surface: 523.366  Positive charged surface: 414.468  Negative charged surface: 108.897  Volume: 234
  Hydrophobic surface: 283.496  Hydrophilic surface: 239.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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
  search links for this molecule:  
   
Parent related molecule:


MMs03221008
PUBCHEM-ZINC05178774