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


PUBCHEM-ZINC06564293

 MMsINC code: MMs03798470
Type: Ionized
Formula: C14H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(C)c1ccccc1)C(C)C
InChI:   InChI=1/C14H20N2O3/c1-9(2)12(13(17)18)16-14(19)15-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t10-,12+/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)=16.5248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.317 g/mol  logS: -2.68648  SlogP: 0.9168  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0816782  Sterimol/B1: 2.86715  Sterimol/B2: 3.68956  Sterimol/B3: 3.94407
  Sterimol/B4: 6.25567  Sterimol/L: 15.2787 
 
 Surface and Volume Properties
  Accessible surface: 511.381  Positive charged surface: 303.752  Negative charged surface: 207.629  Volume: 263.375
  Hydrophobic surface: 338.41  Hydrophilic surface: 172.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03798469
PUBCHEM-ZINC06564293