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


PUBCHEM-ZINC06039998

 MMsINC code: MMs03508621
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CNC(=O)CCCCC)CC
InChI:   InChI=1/C10H19NO3/c1-3-5-6-7-9(12)11-8-10(13)14-4-2/h3-8H2,1-2H3,(H,11,12)

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)=13.9096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.25328  SlogP: 1.246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0178461  Sterimol/B1: 2.37512  Sterimol/B2: 2.37591  Sterimol/B3: 2.7847
  Sterimol/B4: 3.75079  Sterimol/L: 18.2391 
 
 Surface and Volume Properties
  Accessible surface: 478.601  Positive charged surface: 366.112  Negative charged surface: 112.488  Volume: 212.125
  Hydrophobic surface: 337.079  Hydrophilic surface: 141.522
 
 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.