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


NCID-ZINC05411698

 MMsINC code: MMs02460333
Type: Neutral
Formula: C7H14N2O5
SMILES:   O1C(CO)C(O)C(O)C1NC(=O)NC
InChI:   InChI=1/C7H14N2O5/c1-8-7(13)9-6-5(12)4(11)3(2-10)14-6/h3-6,10-12H,2H2,1H3,(H2,8,9,13)/t3-,4+,5+,6+/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)=26.868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.198 g/mol  logS: 0.83108  SlogP: -2.6456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0957991  Sterimol/B1: 3.1705  Sterimol/B2: 3.30484  Sterimol/B3: 4.227
  Sterimol/B4: 5.00271  Sterimol/L: 11.9708 
 
 Surface and Volume Properties
  Accessible surface: 406.558  Positive charged surface: 327.022  Negative charged surface: 79.5367  Volume: 178.125
  Hydrophobic surface: 188.199  Hydrophilic surface: 218.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.