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


AURORAFEINCHEMIE-ZINC03953371

 MMsINC code: MMs00458361
Type: Neutral
Formula: C14H11NO2
SMILES:   OC(=O)c1c2Nc3c(Cc2ccc1)cccc3
InChI:   InChI=1/C14H11NO2/c16-14(17)11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-7,15H,8H2,(H,16,17)

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)=56.6543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.247 g/mol  logS: -3.13203  SlogP: 3.03257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171765  Sterimol/B1: 2.097  Sterimol/B2: 3.12665  Sterimol/B3: 4.48665
  Sterimol/B4: 4.80867  Sterimol/L: 12.3409 
 
 Surface and Volume Properties
  Accessible surface: 420.397  Positive charged surface: 247.175  Negative charged surface: 173.223  Volume: 213.5
  Hydrophobic surface: 325.505  Hydrophilic surface: 94.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00458362
AURORAFEINCHEMIE-ZINC03953371