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


MAYBRIDGE-ZINC00091360

 MMsINC code: MMs02130343
Type: Neutral
Formula: C10H7FINO
SMILES:   Ic1c(nc2c(cc(F)cc2)c1O)C
InChI:   InChI=1/C10H7FINO/c1-5-9(12)10(14)7-4-6(11)2-3-8(7)13-5/h2-4H,1H3,(H,13,14)

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)=53.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.074 g/mol  logS: -3.21136  SlogP: 2.99252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167806  Sterimol/B1: 2.1928  Sterimol/B2: 2.52321  Sterimol/B3: 3.20847
  Sterimol/B4: 5.6237  Sterimol/L: 11.5336 
 
 Surface and Volume Properties
  Accessible surface: 390.779  Positive charged surface: 168.176  Negative charged surface: 217.011  Volume: 190.5
  Hydrophobic surface: 337.126  Hydrophilic surface: 53.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.