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


CHEMDIV-ZINC02757114

 MMsINC code: MMs00887610
Type: Neutral
Formula: C10H17NO4
SMILES:   O1C(CN(CC1C)C(=O)C(OCC)=O)C
InChI:   InChI=1/C10H17NO4/c1-4-14-10(13)9(12)11-5-7(2)15-8(3)6-11/h7-8H,4-6H2,1-3H3/t7-,8-/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)=90.1092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -1.3384  SlogP: 0.1853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103498  Sterimol/B1: 3.16396  Sterimol/B2: 3.8858  Sterimol/B3: 3.9559
  Sterimol/B4: 4.8736  Sterimol/L: 12.8195 
 
 Surface and Volume Properties
  Accessible surface: 439.508  Positive charged surface: 319.644  Negative charged surface: 119.864  Volume: 206.25
  Hydrophobic surface: 293.45  Hydrophilic surface: 146.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.