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


PUBCHEM-ZINC05160316

 MMsINC code: MMs03215974
Type: Neutral
Formula: C2H4INO
SMILES:   INC(=O)C
InChI:   InChI=1/C2H4INO/c1-2(5)4-3/h1H3,(H,4,5)

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)=5.77185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.964 g/mol  logS: -1.69066  SlogP: 0.4725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727687  Sterimol/B1: 2.3586  Sterimol/B2: 2.51208  Sterimol/B3: 2.63514
  Sterimol/B4: 3.44007  Sterimol/L: 8.85928 
 
 Surface and Volume Properties
  Accessible surface: 259.74  Positive charged surface: 203.632  Negative charged surface: 56.1083  Volume: 94.125
  Hydrophobic surface: 194.442  Hydrophilic surface: 65.298
 
 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.