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


AURORAFEINCHEMIE-ZINC03448250

 MMsINC code: MMs00456337
Type: Neutral
Formula: C19H21N3O4
SMILES:   O(C(=O)C(NC(=O)N)C)CC(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H21N3O4/c1-13(21-19(20)25)18(24)26-12-16(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,22,23)(H3,20,21,25)/t13-/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)=45.8004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.394 g/mol  logS: -4.15407  SlogP: 1.5877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825603  Sterimol/B1: 2.06845  Sterimol/B2: 4.47088  Sterimol/B3: 5.83518
  Sterimol/B4: 6.84081  Sterimol/L: 18.2958 
 
 Surface and Volume Properties
  Accessible surface: 648.951  Positive charged surface: 389.559  Negative charged surface: 259.392  Volume: 339.25
  Hydrophobic surface: 437.008  Hydrophilic surface: 211.943
 
 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.