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


NCID-ZINC05437999

 MMsINC code: MMs02462324
Type: Neutral
Formula: C16H25ClN2O9
SMILES:   ClCCNC(=O)NC1C(OC(=O)C)C(OC(OC)C1OC(=O)C)COC(=O)C
InChI:   InChI=1/C16H25ClN2O9/c1-8(20)25-7-11-13(26-9(2)21)12(19-16(23)18-6-5-17)14(27-10(3)22)15(24-4)28-11/h11-15H,5-7H2,1-4H3,(H2,18,19,23)/t11-,12+,13-,14+,15-/m1/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)=43.7255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.834 g/mol  logS: -1.93105  SlogP: -0.3092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126471  Sterimol/B1: 3.46321  Sterimol/B2: 5.28315  Sterimol/B3: 5.71051
  Sterimol/B4: 7.11225  Sterimol/L: 19.179 
 
 Surface and Volume Properties
  Accessible surface: 718.2  Positive charged surface: 464.5  Negative charged surface: 253.7  Volume: 367.875
  Hydrophobic surface: 490.604  Hydrophilic surface: 227.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.