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


PUBCHEM-ZINC06791478

 MMsINC code: MMs03860094
Type: Neutral
Formula: C10H17NO5
SMILES:   OC(=O)C(NC(=O)CCC(O)=O)C(CC)C
InChI:   InChI=1/C10H17NO5/c1-3-6(2)9(10(15)16)11-7(12)4-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t6-,9+/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)=17.3754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.7646  SlogP: 0.4667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950379  Sterimol/B1: 2.51028  Sterimol/B2: 2.76541  Sterimol/B3: 3.77673
  Sterimol/B4: 7.45752  Sterimol/L: 14.0459 
 
 Surface and Volume Properties
  Accessible surface: 453.966  Positive charged surface: 291.219  Negative charged surface: 162.747  Volume: 215.375
  Hydrophobic surface: 206.337  Hydrophilic surface: 247.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03860095
PUBCHEM-ZINC06791478