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


PUBCHEM-ZINC06468015

 MMsINC code: MMs03749681
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(=O)CCCCCC(NC(O)=O)C(N)C
InChI:   InChI=1/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8-/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)=-8.91953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.44446  SlogP: 1.0049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456223  Sterimol/B1: 2.09686  Sterimol/B2: 2.56968  Sterimol/B3: 3.29223
  Sterimol/B4: 7.70827  Sterimol/L: 15.2967 
 
 Surface and Volume Properties
  Accessible surface: 482.001  Positive charged surface: 344.885  Negative charged surface: 137.116  Volume: 226.125
  Hydrophobic surface: 212.226  Hydrophilic surface: 269.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.