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


PUBCHEM-ZINC05501143

 MMsINC code: MMs03288663
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CNC(=O)C(CC)(C)C)CC
InChI:   InChI=1/C10H19NO3/c1-5-10(3,4)9(13)11-7-8(12)14-6-2/h5-7H2,1-4H3,(H,11,13)

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)=35.4164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.62638  SlogP: 1.1019  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0565674  Sterimol/B1: 3.21457  Sterimol/B2: 3.58492  Sterimol/B3: 3.62377
  Sterimol/B4: 3.62454  Sterimol/L: 15.6858 
 
 Surface and Volume Properties
  Accessible surface: 450.634  Positive charged surface: 317.443  Negative charged surface: 133.191  Volume: 210.75
  Hydrophobic surface: 295.48  Hydrophilic surface: 155.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.