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


NCID-ZINC01724878

 MMsINC code: MMs02348810
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(=O)C(CN(CC(C=O)(C)C)C)(C)C)CC
InChI:   InChI=1/C13H25NO3/c1-7-17-11(16)13(4,5)9-14(6)8-12(2,3)10-15/h10H,7-9H2,1-6H3

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)=69.7935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -0.82728  SlogP: 1.7326  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103951  Sterimol/B1: 3.15166  Sterimol/B2: 3.22803  Sterimol/B3: 3.87616
  Sterimol/B4: 4.33823  Sterimol/L: 15.3336 
 
 Surface and Volume Properties
  Accessible surface: 489.252  Positive charged surface: 357.097  Negative charged surface: 132.156  Volume: 260.75
  Hydrophobic surface: 342.411  Hydrophilic surface: 146.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02348811
NCID-ZINC01724878