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


PUBCHEM-ZINC04202309

 MMsINC code: MMs03098699
Type: Neutral
Formula: C10H9FO
SMILES:   Fc1cc2CCC(=O)Cc2cc1
InChI:   InChI=1/C10H9FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2

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)=26.4924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.179 g/mol  logS: -2.11203  SlogP: 1.88344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722281  Sterimol/B1: 2.76424  Sterimol/B2: 2.91314  Sterimol/B3: 3.28955
  Sterimol/B4: 4.58485  Sterimol/L: 10.0631 
 
 Surface and Volume Properties
  Accessible surface: 336.779  Positive charged surface: 191.005  Negative charged surface: 145.774  Volume: 154
  Hydrophobic surface: 291.386  Hydrophilic surface: 45.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.