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


NCID-ZINC01646296

 MMsINC code: MMs02286936
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(=O)C(NCCO)CC(OCC)=O)CC
InChI:   InChI=1/C10H19NO5/c1-3-15-9(13)7-8(11-5-6-12)10(14)16-4-2/h8,11-12H,3-7H2,1-2H3/t8-/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)=39.2158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.50762  SlogP: -0.5468  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.062961  Sterimol/B1: 2.63701  Sterimol/B2: 3.08233  Sterimol/B3: 3.20161
  Sterimol/B4: 8.25729  Sterimol/L: 14.8449 
 
 Surface and Volume Properties
  Accessible surface: 503.256  Positive charged surface: 393.436  Negative charged surface: 109.82  Volume: 228.25
  Hydrophobic surface: 343.776  Hydrophilic surface: 159.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.