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


PUBCHEM-ZINC00056730

 MMsINC code: MMs02630721
Type: Neutral
Formula: C13H24N2O3
SMILES:   O=C1N(C)C(N(C1)C(OC(C)(C)C)=O)C(C)(C)C
InChI:   InChI=1/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3/t10-/m0/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)=67.9065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.74424  SlogP: 2.0677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132248  Sterimol/B1: 3.05033  Sterimol/B2: 3.34291  Sterimol/B3: 3.81947
  Sterimol/B4: 6.59854  Sterimol/L: 12.8523 
 
 Surface and Volume Properties
  Accessible surface: 469.219  Positive charged surface: 341.047  Negative charged surface: 128.172  Volume: 260.75
  Hydrophobic surface: 320.524  Hydrophilic surface: 148.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.