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


NCID-ZINC04896641

 MMsINC code: MMs02413696
Type: Neutral
Formula: C8H15NO5
SMILES:   O1CC(NC(=O)C)C(O)C(O)C1OC
InChI:   InChI=1/C8H15NO5/c1-4(10)9-5-3-14-8(13-2)7(12)6(5)11/h5-8,11-12H,3H2,1-2H3,(H,9,10)/t5-,6+,7+,8+/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)=48.7979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.21 g/mol  logS: 0.31976  SlogP: -1.7844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212841  Sterimol/B1: 2.81252  Sterimol/B2: 2.93462  Sterimol/B3: 4.46516
  Sterimol/B4: 5.5127  Sterimol/L: 11.4741 
 
 Surface and Volume Properties
  Accessible surface: 402.409  Positive charged surface: 310.518  Negative charged surface: 91.8908  Volume: 184
  Hydrophobic surface: 265.716  Hydrophilic surface: 136.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.