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


KEYORGANICS-ZINC01405693

 MMsINC code: MMs02109164
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(=O)C1CCN(CC1)CCC(OC)=O)C
InChI:   InChI=1/C11H19NO4/c1-15-10(13)5-8-12-6-3-9(4-7-12)11(14)16-2/h9H,3-8H2,1-2H3

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)=15.7658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.49555  SlogP: 0.4345  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.03771  Sterimol/B1: 2.68808  Sterimol/B2: 2.82556  Sterimol/B3: 3.26056
  Sterimol/B4: 4.87531  Sterimol/L: 16.4811 
 
 Surface and Volume Properties
  Accessible surface: 474.368  Positive charged surface: 398.217  Negative charged surface: 76.1505  Volume: 224.5
  Hydrophobic surface: 393.995  Hydrophilic surface: 80.373
 
 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


MMs02109165
KEYORGANICS-ZINC01405693