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


NIH-ZINC04956313

 MMsINC code: MMs02536246
Type: Neutral
Formula: C14H25NO5
SMILES:   O(C(=O)CCC(NC(=O)C)CCCCCC(OC)=O)C
InChI:   InChI=1/C14H25NO5/c1-11(16)15-12(9-10-14(18)20-3)7-5-4-6-8-13(17)19-2/h12H,4-10H2,1-3H3,(H,15,16)/t12-/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)=23.7664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -1.67295  SlogP: 1.5678  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0347905  Sterimol/B1: 1.969  Sterimol/B2: 3.02211  Sterimol/B3: 3.42177
  Sterimol/B4: 7.25365  Sterimol/L: 20.6898 
 
 Surface and Volume Properties
  Accessible surface: 603.491  Positive charged surface: 474.298  Negative charged surface: 129.192  Volume: 291.125
  Hydrophobic surface: 479.735  Hydrophilic surface: 123.756
 
 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.