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


PUBCHEM-ZINC06118013

 MMsINC code: MMs03547055
Type: Neutral
Formula: C18H11FO
SMILES:   Fc1c2C3OC3c3c(-c2c2c(c1)cccc2)cccc3
InChI:   InChI=1/C18H11FO/c19-14-9-10-5-1-2-6-11(10)15-12-7-3-4-8-13(12)17-18(20-17)16(14)15/h1-9,17-18H/t17-,18+/m1/s1

Download   format file 
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)=92.8387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.283 g/mol  logS: -6.37156  SlogP: 4.9629  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0251756  Sterimol/B1: 2.53461  Sterimol/B2: 3.11714  Sterimol/B3: 3.50536
  Sterimol/B4: 6.88394  Sterimol/L: 12.2494 
 
 Surface and Volume Properties
  Accessible surface: 444.49  Positive charged surface: 219.641  Negative charged surface: 206.236  Volume: 243.25
  Hydrophobic surface: 420.242  Hydrophilic surface: 24.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.