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


NCID-ZINC01562169

 MMsINC code: MMs02224190
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)CCC(=O)C)CCN(CC)CC
InChI:   InChI=1/C11H21NO3/c1-4-12(5-2)8-9-15-11(14)7-6-10(3)13/h4-9H2,1-3H3

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)=32.4521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -0.65357  SlogP: 1.2406  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0610252  Sterimol/B1: 2.48064  Sterimol/B2: 2.5058  Sterimol/B3: 4.3747
  Sterimol/B4: 5.64144  Sterimol/L: 15.1166 
 
 Surface and Volume Properties
  Accessible surface: 484.519  Positive charged surface: 358.735  Negative charged surface: 125.784  Volume: 230.25
  Hydrophobic surface: 368.908  Hydrophilic surface: 115.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02224191
NCID-ZINC01562169