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


NCID-ZINC04896897

 MMsINC code: MMs02413935
Type: Neutral
Formula: C10H16N2O5
SMILES:   O1C(C)C(NC1=O)C(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C10H16N2O5/c1-4(2)6(9(14)15)11-8(13)7-5(3)17-10(16)12-7/h4-7H,1-3H3,(H,11,13)(H,12,16)(H,14,15)/t5-,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)=73.5954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.247 g/mol  logS: -1.21514  SlogP: -0.2913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145924  Sterimol/B1: 2.3169  Sterimol/B2: 3.10118  Sterimol/B3: 4.54523
  Sterimol/B4: 5.44326  Sterimol/L: 12.5821 
 
 Surface and Volume Properties
  Accessible surface: 421.071  Positive charged surface: 273.262  Negative charged surface: 147.809  Volume: 215.5
  Hydrophobic surface: 161.358  Hydrophilic surface: 259.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02413936
NCID-ZINC04896897