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


PUBCHEM-ZINC04700110

 MMsINC code: MMs03159834
Type: Neutral
Formula: C14H20N2O3
SMILES:   OCC(NC(=O)C(=O)NCc1ccc(cc1)C)CC
InChI:   InChI=1/C14H20N2O3/c1-3-12(9-17)16-14(19)13(18)15-8-11-6-4-10(2)5-7-11/h4-7,12,17H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)/t12-/m1/s1

Download   format file 
Drug Similarity  |  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)=48.0231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.50394  SlogP: 0.76472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054508  Sterimol/B1: 2.0116  Sterimol/B2: 3.06641  Sterimol/B3: 4.17387
  Sterimol/B4: 6.40883  Sterimol/L: 16.7957 
 
 Surface and Volume Properties
  Accessible surface: 543.594  Positive charged surface: 365.638  Negative charged surface: 177.957  Volume: 266.25
  Hydrophobic surface: 384.846  Hydrophilic surface: 158.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.