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


PUBCHEM-ZINC04676258

 MMsINC code: MMs03152884
Type: Neutral
Formula: C17H15NO2
SMILES:   OC(=O)Cn1c2c(cccc2)c(-c2ccccc2)c1C
InChI:   InChI=1/C17H15NO2/c1-12-17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)18(12)11-16(19)20/h2-10H,11H2,1H3,(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)=51.9253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.312 g/mol  logS: -4.3044  SlogP: 3.96772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101557  Sterimol/B1: 2.03296  Sterimol/B2: 2.50992  Sterimol/B3: 4.08439
  Sterimol/B4: 8.44406  Sterimol/L: 13.6254 
 
 Surface and Volume Properties
  Accessible surface: 492.908  Positive charged surface: 275.365  Negative charged surface: 212.827  Volume: 264
  Hydrophobic surface: 401.572  Hydrophilic surface: 91.336
 
 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


MMs03152885
PUBCHEM-ZINC04676258