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


PUBCHEM-ZINC06032490

 MMsINC code: MMs03505224
Type: Neutral
Formula: C8H14N2O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C)C)C
InChI:   InChI=1/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5+/m1/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)=28.4521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.5933  SlogP: -0.8997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999464  Sterimol/B1: 2.12861  Sterimol/B2: 2.44272  Sterimol/B3: 4.17585
  Sterimol/B4: 4.8401  Sterimol/L: 13.9022 
 
 Surface and Volume Properties
  Accessible surface: 420.281  Positive charged surface: 263.089  Negative charged surface: 157.192  Volume: 188.25
  Hydrophobic surface: 203.715  Hydrophilic surface: 216.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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:  
   

Ions/Tautomers related molecules


MMs03505225
PUBCHEM-ZINC06032490