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


NCID-ZINC04994332

 MMsINC code: MMs02425580
Type: Neutral
Formula: C16H20Cl3NO10
SMILES:   ClC(Cl)(Cl)C(=O)NC1C(OC(=O)C)C(OC(=O)C)C(OC1OC(=O)C)COC(=O)C
InChI:   InChI=1/C16H20Cl3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11+,12-,13-,14-/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)=96.0302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.692 g/mol  logS: -4.0052  SlogP: 0.9758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202471  Sterimol/B1: 2.34919  Sterimol/B2: 3.95227  Sterimol/B3: 5.34859
  Sterimol/B4: 12.1223  Sterimol/L: 14.018 
 
 Surface and Volume Properties
  Accessible surface: 704.749  Positive charged surface: 334.08  Negative charged surface: 370.669  Volume: 387.625
  Hydrophobic surface: 392.973  Hydrophilic surface: 311.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.