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


CHEMSTAR-ZINC00282120

 MMsINC code: MMs01074397
Type: Neutral
Formula: C17H16N2O2
SMILES:   O=C(Nc1cc2Cc3cc(NC(=O)C)ccc3-c2cc1)C
InChI:   InChI=1/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)

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)=87.5668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.327 g/mol  logS: -4.70104  SlogP: 3.17457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114995  Sterimol/B1: 2.3509  Sterimol/B2: 2.75767  Sterimol/B3: 3.87763
  Sterimol/B4: 4.01301  Sterimol/L: 18.4142 
 
 Surface and Volume Properties
  Accessible surface: 532.875  Positive charged surface: 323.264  Negative charged surface: 197.836  Volume: 273.125
  Hydrophobic surface: 429.493  Hydrophilic surface: 103.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.