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


PUBCHEM-ZINC05454157

 MMsINC code: MMs03273775
Type: Neutral
Formula: C14H18N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C14H18N2O4/c1-8(2)7-11(12(15)17)16-13(18)9-5-3-4-6-10(9)14(19)20/h3-6,8,11H,7H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)/t11-/m0/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)=63.4152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.33839  SlogP: 1.0146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190258  Sterimol/B1: 2.38403  Sterimol/B2: 3.05312  Sterimol/B3: 5.57098
  Sterimol/B4: 6.40925  Sterimol/L: 13.0806 
 
 Surface and Volume Properties
  Accessible surface: 499.197  Positive charged surface: 314.356  Negative charged surface: 184.841  Volume: 263.375
  Hydrophobic surface: 267.905  Hydrophilic surface: 231.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03273776
PUBCHEM-ZINC05454157