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


AURORAFEINCHEMIE-ZINC05307766

 MMsINC code: MMs00473665
Type: Neutral
Formula: C18H19N3O4
SMILES:   OC(=O)C(NC(=O)Nc1cc(NC(=O)C)ccc1)Cc1ccccc1
InChI:   InChI=1/C18H19N3O4/c1-12(22)19-14-8-5-9-15(11-14)20-18(25)21-16(17(23)24)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,19,22)(H,23,24)(H2,20,21,25)/t16-/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)=69.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.367 g/mol  logS: -3.46285  SlogP: 2.46237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119811  Sterimol/B1: 3.21925  Sterimol/B2: 4.95634  Sterimol/B3: 5.31508
  Sterimol/B4: 6.44975  Sterimol/L: 15.3664 
 
 Surface and Volume Properties
  Accessible surface: 614.837  Positive charged surface: 363.297  Negative charged surface: 251.54  Volume: 319.125
  Hydrophobic surface: 431.402  Hydrophilic surface: 183.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00473666
AURORAFEINCHEMIE-ZINC05307766