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


PUBCHEM-ZINC04102408

 MMsINC code: MMs03091877
Type: Neutral
Formula: C6H13NO5
SMILES:   O1C(CO)C(O)C(N)C(O)C1O
InChI:   InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6-/m1/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)=58.2936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.172 g/mol  logS: 1.35605  SlogP: -3.255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119703  Sterimol/B1: 2.5748  Sterimol/B2: 3.19136  Sterimol/B3: 4.20538
  Sterimol/B4: 4.74661  Sterimol/L: 10.3609 
 
 Surface and Volume Properties
  Accessible surface: 352.078  Positive charged surface: 262.274  Negative charged surface: 89.8037  Volume: 152
  Hydrophobic surface: 105.602  Hydrophilic surface: 246.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03091878
PUBCHEM-ZINC04102408