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


PUBCHEM-ZINC02759796

 MMsINC code: MMs02918185
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC1CCCC1)NCCCC
InChI:   InChI=1/C10H20N2O/c1-2-3-8-11-10(13)12-9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12,13)

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)=-17.5186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -1.60445  SlogP: 2.0283  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0443889  Sterimol/B1: 2.57011  Sterimol/B2: 3.19082  Sterimol/B3: 3.53072
  Sterimol/B4: 3.88857  Sterimol/L: 15.5578 
 
 Surface and Volume Properties
  Accessible surface: 445.331  Positive charged surface: 353.938  Negative charged surface: 91.3927  Volume: 204
  Hydrophobic surface: 358.496  Hydrophilic surface: 86.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.