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


NCID-ZINC01667847

 MMsINC code: MMs02303965
Type: Neutral
Formula: C5H9NO2
SMILES:   O(C(=O)CN1CC1)C
InChI:   InChI=1/C5H9NO2/c1-8-5(7)4-6-2-3-6/h2-4H2,1H3

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)=38.4706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 115.132 g/mol  logS: -0.04544  SlogP: -0.525  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0792644  Sterimol/B1: 2.7716  Sterimol/B2: 2.85554  Sterimol/B3: 3.12254
  Sterimol/B4: 3.20155  Sterimol/L: 10.5528 
 
 Surface and Volume Properties
  Accessible surface: 308.274  Positive charged surface: 217.943  Negative charged surface: 90.3308  Volume: 117.25
  Hydrophobic surface: 251.879  Hydrophilic surface: 56.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.