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


PUBCHEM-ZINC05828451

 MMsINC code: MMs03403922
Type: Neutral
Formula: C6H13NO5
SMILES:   OC(O)(CCC(N)C(O)=O)CO
InChI:   InChI=1/C6H13NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h4,8,11-12H,1-3,7H2,(H,9,10)/t4-/m0/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)=39.3881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.172 g/mol  logS: 0.87038  SlogP: -2.1483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105112  Sterimol/B1: 3.17423  Sterimol/B2: 3.2286  Sterimol/B3: 3.28919
  Sterimol/B4: 3.98592  Sterimol/L: 12.0289 
 
 Surface and Volume Properties
  Accessible surface: 368.581  Positive charged surface: 254.481  Negative charged surface: 114.1  Volume: 160.25
  Hydrophobic surface: 97.4006  Hydrophilic surface: 271.1804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.