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


AURORAFEINCHEMIE-ZINC00543488

 MMsINC code: MMs00447567
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)N(Cc1ccccc1)C)Cc1ccccc1
InChI:   InChI=1/C18H20N2O3/c1-20(13-15-10-6-3-7-11-15)18(23)19-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,23)(H,21,22)/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)=43.6216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.09145  SlogP: 2.79027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229244  Sterimol/B1: 1.969  Sterimol/B2: 3.74163  Sterimol/B3: 6.44969
  Sterimol/B4: 7.68627  Sterimol/L: 12.5651 
 
 Surface and Volume Properties
  Accessible surface: 572.332  Positive charged surface: 347.431  Negative charged surface: 224.901  Volume: 311.125
  Hydrophobic surface: 458.279  Hydrophilic surface: 114.053
 
 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


MMs00447568
AURORAFEINCHEMIE-ZINC00543488