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


AURORAFEINCHEMIE-ZINC05422559

 MMsINC code: MMs00475169
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1C)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-11-8-6-5-7-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t9-,10-,11+,12+/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)=2.62447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -2.7795  SlogP: 1.0289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130296  Sterimol/B1: 2.62908  Sterimol/B2: 3.47295  Sterimol/B3: 3.97376
  Sterimol/B4: 7.2666  Sterimol/L: 13.3904 
 
 Surface and Volume Properties
  Accessible surface: 512.51  Positive charged surface: 349.393  Negative charged surface: 163.116  Volume: 278.5
  Hydrophobic surface: 345.752  Hydrophilic surface: 166.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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:  
   
Parent related molecule:


MMs00475168
AURORAFEINCHEMIE-ZINC05422559