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


NCID-ZINC05664842

 MMsINC code: MMs02485401
Type: Neutral
Formula: C5H6Cl2N2O2
SMILES:   ClC1(Cl)C(NC(=O)NC1=O)C
InChI:   InChI=1/C5H6Cl2N2O2/c1-2-5(6,7)3(10)9-4(11)8-2/h2H,1H3,(H2,8,9,10,11)/t2-/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)=7.76781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.021 g/mol  logS: -2.05421  SlogP: 0.8081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.436153  Sterimol/B1: 2.29606  Sterimol/B2: 2.85023  Sterimol/B3: 4.77802
  Sterimol/B4: 5.23791  Sterimol/L: 8.09261 
 
 Surface and Volume Properties
  Accessible surface: 321.535  Positive charged surface: 124.437  Negative charged surface: 197.098  Volume: 144.625
  Hydrophobic surface: 57.2001  Hydrophilic surface: 264.3349
 
 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: no related molecules available.