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


CHEMDIV-ZINC01508839

 MMsINC code: MMs00866916
Type: Neutral
Formula: C16H15NO3
SMILES:   OC(=O)c1cc(NC(=O)c2ccc(cc2)CC)ccc1
InChI:   InChI=1/C16H15NO3/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)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)=65.1927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.3 g/mol  logS: -4.31341  SlogP: 3.19947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287852  Sterimol/B1: 2.32225  Sterimol/B2: 4.01234  Sterimol/B3: 4.12162
  Sterimol/B4: 4.93139  Sterimol/L: 16.6899 
 
 Surface and Volume Properties
  Accessible surface: 518.516  Positive charged surface: 295.959  Negative charged surface: 222.557  Volume: 262.25
  Hydrophobic surface: 358.258  Hydrophilic surface: 160.258
 
 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


MMs00866917
CHEMDIV-ZINC01508839