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


PUBCHEM-ZINC02556650

 MMsINC code: MMs02900502
Type: Neutral
Formula: C7H13NO2
SMILES:   O(C(=O)C1NCCC1)CC
InChI:   InChI=1/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/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)=26.9646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.64524  SlogP: 0.3015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759358  Sterimol/B1: 2.59872  Sterimol/B2: 2.97405  Sterimol/B3: 3.3293
  Sterimol/B4: 3.79451  Sterimol/L: 11.8523 
 
 Surface and Volume Properties
  Accessible surface: 356.773  Positive charged surface: 276.965  Negative charged surface: 79.8082  Volume: 148.625
  Hydrophobic surface: 269.639  Hydrophilic surface: 87.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.