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


NCID-ZINC01597239

 MMsINC code: MMs02251134
Type: Neutral
Formula: C10H7Cl5O2
SMILES:   Clc1c(OC(=O)CCC)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H7Cl5O2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3

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)=47.1471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.429 g/mol  logS: -6.12684  SlogP: 5.6591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0504483  Sterimol/B1: 2.73605  Sterimol/B2: 3.06362  Sterimol/B3: 4.74847
  Sterimol/B4: 4.75055  Sterimol/L: 14.4819 
 
 Surface and Volume Properties
  Accessible surface: 477.859  Positive charged surface: 155.119  Negative charged surface: 322.741  Volume: 246.5
  Hydrophobic surface: 431.678  Hydrophilic surface: 46.181
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.