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


PUBCHEM-ZINC06777619

 MMsINC code: MMs03858140
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)C(N)CCCCCC(=O)CC)C
InChI:   InChI=1/C11H21NO3/c1-3-9(13)7-5-4-6-8-10(12)11(14)15-2/h10H,3-8,12H2,1-2H3/t10-/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)=32.6501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.233  SlogP: 1.4163  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.032182  Sterimol/B1: 2.58884  Sterimol/B2: 3.24652  Sterimol/B3: 3.76043
  Sterimol/B4: 4.13074  Sterimol/L: 17.6321 
 
 Surface and Volume Properties
  Accessible surface: 495.442  Positive charged surface: 385.537  Negative charged surface: 109.904  Volume: 228.5
  Hydrophobic surface: 354.361  Hydrophilic surface: 141.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.