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


ACROSORGANICS-ZINC01736653

 MMsINC code: MMs00011764
Type: Neutral
Formula: C3H4Cl2O
SMILES:   ClC(=O)CCCl
InChI:   InChI=1/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2

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)=1.66547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.97 g/mol  logS: -1.39033  SlogP: 1.6462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.140458  Sterimol/B1: 2.18725  Sterimol/B2: 2.37507  Sterimol/B3: 2.37532
  Sterimol/B4: 3.81383  Sterimol/L: 9.61731 
 
 Surface and Volume Properties
  Accessible surface: 268.308  Positive charged surface: 88.1273  Negative charged surface: 180.181  Volume: 97.875
  Hydrophobic surface: 80.6146  Hydrophilic surface: 187.6934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.