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


PUBCHEM-ZINC04690282

 MMsINC code: MMs03157265
Type: Neutral
Formula: C9H16N2O3
SMILES:   O(CC(=O)N1CCCCC1)CC(=O)N
InChI:   InChI=1/C9H16N2O3/c10-8(12)6-14-7-9(13)11-4-2-1-3-5-11/h1-7H2,(H2,10,12)

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)=40.3228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.83247  SlogP: -0.4992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474825  Sterimol/B1: 2.79049  Sterimol/B2: 3.39332  Sterimol/B3: 3.43141
  Sterimol/B4: 4.37069  Sterimol/L: 14.1534 
 
 Surface and Volume Properties
  Accessible surface: 425.366  Positive charged surface: 324.012  Negative charged surface: 101.354  Volume: 193.5
  Hydrophobic surface: 266.275  Hydrophilic surface: 159.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.