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


PUBCHEM-ZINC05420904

 MMsINC code: MMs03264056
Type: Neutral
Formula: C11H14Cl2N2O3
SMILES:   ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO
InChI:   InChI=1/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9+/m0/s1

Download   format file 
Drug Similarity  |  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)=82.6288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.15 g/mol  logS: -2.2581  SlogP: 1.0984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16097  Sterimol/B1: 2.29671  Sterimol/B2: 4.70765  Sterimol/B3: 5.02445
  Sterimol/B4: 6.04328  Sterimol/L: 12.0617 
 
 Surface and Volume Properties
  Accessible surface: 480.399  Positive charged surface: 247.625  Negative charged surface: 232.774  Volume: 246.875
  Hydrophobic surface: 189.158  Hydrophilic surface: 291.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.