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


NCID-ZINC01558253

 MMsINC code: MMs02221280
Type: Neutral
Formula: C5H10ClNO2
SMILES:   ClCCCNC(OC)=O
InChI:   InChI=1/C5H10ClNO2/c1-9-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)

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)=-12.7109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.593 g/mol  logS: -0.80698  SlogP: 0.9713  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0406918  Sterimol/B1: 2.37499  Sterimol/B2: 2.37526  Sterimol/B3: 2.72501
  Sterimol/B4: 3.06437  Sterimol/L: 13.1037 
 
 Surface and Volume Properties
  Accessible surface: 346.383  Positive charged surface: 236.439  Negative charged surface: 109.944  Volume: 138.5
  Hydrophobic surface: 204.76  Hydrophilic surface: 141.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.