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


PUBCHEM-ZINC06905486

 MMsINC code: MMs03896164
Type: Neutral
Formula: C7H13NO5
SMILES:   O1CC(O)C(O)C(O)C1NC(=O)C
InChI:   InChI=1/C7H13NO5/c1-3(9)8-7-6(12)5(11)4(10)2-13-7/h4-7,10-12H,2H2,1H3,(H,8,9)/t4-,5-,6+,7-/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)=50.2552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.183 g/mol  logS: 0.66494  SlogP: -2.4385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209373  Sterimol/B1: 2.6699  Sterimol/B2: 3.68062  Sterimol/B3: 4.04289
  Sterimol/B4: 4.61425  Sterimol/L: 10.941 
 
 Surface and Volume Properties
  Accessible surface: 366.466  Positive charged surface: 254.097  Negative charged surface: 112.369  Volume: 167.875
  Hydrophobic surface: 179.494  Hydrophilic surface: 186.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.