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


ENAMINE-ZINC03474986

 MMsINC code: MMs01463139
Type: Neutral
Formula: C14H18N2O4
SMILES:   O(C(=O)c1ccccc1C)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C14H18N2O4/c1-9(2)15-14(19)16-12(17)8-20-13(18)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,19)

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)=46.0515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -3.29605  SlogP: 1.38602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183024  Sterimol/B1: 1.969  Sterimol/B2: 3.12717  Sterimol/B3: 3.36882
  Sterimol/B4: 6.82392  Sterimol/L: 17.9756 
 
 Surface and Volume Properties
  Accessible surface: 544.129  Positive charged surface: 350.584  Negative charged surface: 193.546  Volume: 266.875
  Hydrophobic surface: 376.566  Hydrophilic surface: 167.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.