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


NCID-ZINC01606634

 MMsINC code: MMs02258570
Type: Neutral
Formula: C6H10ClNO4
SMILES:   ClCC(=O)NC(C(O)=O)COC
InChI:   InChI=1/C6H10ClNO4/c1-12-3-4(6(10)11)8-5(9)2-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/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)=35.1435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.602 g/mol  logS: -0.66687  SlogP: -0.559  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.11795  Sterimol/B1: 2.37389  Sterimol/B2: 2.78182  Sterimol/B3: 3.41178
  Sterimol/B4: 6.0263  Sterimol/L: 12.3452 
 
 Surface and Volume Properties
  Accessible surface: 388.595  Positive charged surface: 248.986  Negative charged surface: 139.609  Volume: 163.75
  Hydrophobic surface: 187.049  Hydrophilic surface: 201.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02258571
NCID-ZINC01606634