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


PUBCHEM-ZINC00003826

 MMsINC code: MMs02625697
Type: Neutral
Formula: C10H16N2O2
SMILES:   O=C1NC(CC1)C(=O)N1CCCCC1
InChI:   InChI=1/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h8H,1-7H2,(H,11,13)/t8-/m0/s1

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)=30.3305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.25 g/mol  logS: -0.81637  SlogP: 0.2775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114565  Sterimol/B1: 3.06251  Sterimol/B2: 3.28783  Sterimol/B3: 3.48852
  Sterimol/B4: 4.41737  Sterimol/L: 12.3756 
 
 Surface and Volume Properties
  Accessible surface: 399.049  Positive charged surface: 292.126  Negative charged surface: 106.923  Volume: 191.875
  Hydrophobic surface: 291.936  Hydrophilic surface: 107.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.