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


PUBCHEM-ZINC06273424

 MMsINC code: MMs03652204
Type: Neutral
Formula: C14H28N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCCC)C)C(CC)C
InChI:   InChI=1/C14H28N2O3/c1-5-7-8-9-11(4)15-14(19)16-12(13(17)18)10(3)6-2/h10-12H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)/t10-,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)=1.58392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.24799  SlogP: 2.7537  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0611575  Sterimol/B1: 3.19723  Sterimol/B2: 3.28516  Sterimol/B3: 3.31331
  Sterimol/B4: 8.01886  Sterimol/L: 14.9513 
 
 Surface and Volume Properties
  Accessible surface: 573.467  Positive charged surface: 407.018  Negative charged surface: 166.449  Volume: 289.125
  Hydrophobic surface: 371.124  Hydrophilic surface: 202.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03652205
PUBCHEM-ZINC06273424