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


ENAMINE-ZINC03297157

 MMsINC code: MMs01356566
Type: Neutral
Formula: C10H10Cl3NO2
SMILES:   ClC(Cl)(Cl)C(O)CC(=O)Nc1ccccc1
InChI:   InChI=1/C10H10Cl3NO2/c11-10(12,13)8(15)6-9(16)14-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m0/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)=59.2659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.554 g/mol  logS: -3.67411  SlogP: 3.1662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04244  Sterimol/B1: 2.90381  Sterimol/B2: 3.44126  Sterimol/B3: 3.73517
  Sterimol/B4: 4.37498  Sterimol/L: 14.4564 
 
 Surface and Volume Properties
  Accessible surface: 456.322  Positive charged surface: 174.982  Negative charged surface: 281.34  Volume: 225.5
  Hydrophobic surface: 218.989  Hydrophilic surface: 237.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01356567
ENAMINE-ZINC03297157