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


NCID-ZINC01674927

 MMsINC code: MMs02310319
Type: Ionized
Formula: C11H18N2O5-2
SMILES:   O=C([O-])C(NC(=O)NC(C(C)C)C(=O)[O-])C(C)C
InChI:   InChI=1/C11H20N2O5/c1-5(2)7(9(14)15)12-11(18)13-8(6(3)4)10(16)17/h5-8H,1-4H3,(H,14,15)(H,16,17)(H2,12,13,18)/p-2/t7-,8+

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)=28.3402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -1.57841  SlogP: -2.1654  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112985  Sterimol/B1: 2.02307  Sterimol/B2: 3.44805  Sterimol/B3: 4.96661
  Sterimol/B4: 5.25667  Sterimol/L: 13.154 
 
 Surface and Volume Properties
  Accessible surface: 463.78  Positive charged surface: 258.85  Negative charged surface: 204.929  Volume: 243.875
  Hydrophobic surface: 201.455  Hydrophilic surface: 262.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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:  
   
Parent related molecule:


MMs02310318
NCID-ZINC01674927