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


PUBCHEM-ZINC06403280

 MMsINC code: MMs03707895
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C(NC(=O)C1CCNCC1)C)CC
InChI:   InChI=1/C11H20N2O3/c1-3-16-11(15)8(2)13-10(14)9-4-6-12-7-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,14)/t8-/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)=20.0208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -0.9015  SlogP: 0.0538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467818  Sterimol/B1: 2.62452  Sterimol/B2: 3.61437  Sterimol/B3: 3.71946
  Sterimol/B4: 4.90548  Sterimol/L: 15.4271 
 
 Surface and Volume Properties
  Accessible surface: 478.685  Positive charged surface: 371.056  Negative charged surface: 107.628  Volume: 230.875
  Hydrophobic surface: 344.512  Hydrophilic surface: 134.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03707896
PUBCHEM-ZINC06403280