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


PUBCHEM-ZINC05113526

 MMsINC code: MMs03201774
Type: Neutral
Formula: C10H25N3O3
SMILES:   OCCN(CCNCCNCCO)CCO
InChI:   InChI=1/C10H25N3O3/c14-8-4-12-2-1-11-3-5-13(6-9-15)7-10-16/h11-12,14-16H,1-10H2

Download   format file 
Drug Similarity  |  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)=67.3137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.328 g/mol  logS: 1.58531  SlogP: -2.5555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508581  Sterimol/B1: 3.28847  Sterimol/B2: 3.46259  Sterimol/B3: 4.34171
  Sterimol/B4: 4.49099  Sterimol/L: 16.632 
 
 Surface and Volume Properties
  Accessible surface: 528.122  Positive charged surface: 478.755  Negative charged surface: 49.367  Volume: 244.625
  Hydrophobic surface: 352.509  Hydrophilic surface: 175.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03201775
PUBCHEM-ZINC05113526