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


CHEMSTAR-ZINC00284137

 MMsINC code: MMs01074412
Type: Neutral
Formula: C16H15NO3
SMILES:   OC(=O)c1ccccc1C(=O)Nc1ccccc1CC
InChI:   InChI=1/C16H15NO3/c1-2-11-7-3-6-10-14(11)17-15(18)12-8-4-5-9-13(12)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)

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)=77.6366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.3 g/mol  logS: -3.99996  SlogP: 3.19947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146948  Sterimol/B1: 2.30459  Sterimol/B2: 3.07899  Sterimol/B3: 4.07825
  Sterimol/B4: 7.1437  Sterimol/L: 13.8138 
 
 Surface and Volume Properties
  Accessible surface: 496.058  Positive charged surface: 288.824  Negative charged surface: 207.235  Volume: 261.75
  Hydrophobic surface: 374.434  Hydrophilic surface: 121.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01074413
CHEMSTAR-ZINC00284137