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


PUBCHEM-ZINC04134464

 MMsINC code: MMs03093556
Type: Neutral
Formula: C7H13NO6
SMILES:   O1C(C(=O)N)C(O)C(O)C(O)C1CO
InChI:   InChI=1/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/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)=80.9612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.182 g/mol  logS: 0.64958  SlogP: -3.6859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199319  Sterimol/B1: 3.08356  Sterimol/B2: 3.23349  Sterimol/B3: 3.3176
  Sterimol/B4: 4.86097  Sterimol/L: 10.0033 
 
 Surface and Volume Properties
  Accessible surface: 370.814  Positive charged surface: 273.334  Negative charged surface: 97.48  Volume: 169.125
  Hydrophobic surface: 105.93  Hydrophilic surface: 264.884
 
 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: no related molecules available.