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


SIAL-ZINC00403527

 MMsINC code: MMs03912703
Type: Neutral
Formula: C11H19NO5
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)C(OC)=O
InChI:   InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/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)=49.2881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -1.27181  SlogP: 0.5297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119037  Sterimol/B1: 1.969  Sterimol/B2: 4.7814  Sterimol/B3: 4.83688
  Sterimol/B4: 5.67721  Sterimol/L: 12.3492 
 
 Surface and Volume Properties
  Accessible surface: 477.119  Positive charged surface: 362.781  Negative charged surface: 114.338  Volume: 234.25
  Hydrophobic surface: 334.581  Hydrophilic surface: 142.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.