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


PUBCHEM-ZINC05113364

 MMsINC code: MMs03201636
Type: Neutral
Formula: C3H6Cl2O
SMILES:   ClC(O)CCCl
InChI:   InChI=1/C3H6Cl2O/c4-2-1-3(5)6/h3,6H,1-2H2/t3-/m1/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)=-0.562065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.986 g/mol  logS: -1.00106  SlogP: 1.5924  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.174573  Sterimol/B1: 2.38498  Sterimol/B2: 2.73911  Sterimol/B3: 2.85682
  Sterimol/B4: 4.29623  Sterimol/L: 9.3438 
 
 Surface and Volume Properties
  Accessible surface: 275.905  Positive charged surface: 118.3  Negative charged surface: 157.605  Volume: 104.75
  Hydrophobic surface: 91.4514  Hydrophilic surface: 184.4536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.