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


PUBCHEM-ZINC03124034

 MMsINC code: MMs02997328
Type: Tautomer
Formula: C10H8O2
SMILES:   O=C/1c2c(C\C\1=C/O)cccc2
InChI:   InChI=1/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,11H,5H2/b8-6+

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)=41.3688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.172 g/mol  logS: -1.76435  SlogP: 1.86727  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0124189  Sterimol/B1: 2.37798  Sterimol/B2: 2.37812  Sterimol/B3: 3.18917
  Sterimol/B4: 5.01352  Sterimol/L: 11.5445 
 
 Surface and Volume Properties
  Accessible surface: 348.301  Positive charged surface: 190.085  Negative charged surface: 158.216  Volume: 155.75
  Hydrophobic surface: 256.217  Hydrophilic surface: 92.084
 
 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:  
   
Parent related molecule:


MMs02997326
PUBCHEM-ZINC03124034