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


ACROSORGANICS-ZINC02169389

 MMsINC code: MMs00013125
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C(N)CC(OC)=O)C
InChI:   InChI=1/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/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)=30.6731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.01984  SlogP: -0.9502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0573822  Sterimol/B1: 2.5223  Sterimol/B2: 2.94001  Sterimol/B3: 2.95946
  Sterimol/B4: 4.71033  Sterimol/L: 12.374 
 
 Surface and Volume Properties
  Accessible surface: 362.145  Positive charged surface: 285.826  Negative charged surface: 76.3188  Volume: 149.25
  Hydrophobic surface: 237.505  Hydrophilic surface: 124.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.