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


PUBCHEM-ZINC02734578

 MMsINC code: MMs02913154
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)C(NC(=O)COC)CC(C)C)C
InChI:   InChI=1/C10H19NO4/c1-7(2)5-8(10(13)15-4)11-9(12)6-14-3/h7-8H,5-6H2,1-4H3,(H,11,12)/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)=63.5837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.87334  SlogP: 0.3367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105453  Sterimol/B1: 2.08159  Sterimol/B2: 3.13371  Sterimol/B3: 4.86786
  Sterimol/B4: 6.76931  Sterimol/L: 14.2106 
 
 Surface and Volume Properties
  Accessible surface: 467.976  Positive charged surface: 377.568  Negative charged surface: 90.4079  Volume: 219.375
  Hydrophobic surface: 352.392  Hydrophilic surface: 115.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.