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


PUBCHEM-ZINC03122155

 MMsINC code: MMs02996743
Type: Neutral
Formula: C20H14O2
SMILES:   OC=1c2c(cccc2)C(=O)C=1c1c2c(ccc1C)cccc2
InChI:   InChI=1/C20H14O2/c1-12-10-11-13-6-2-3-7-14(13)17(12)18-19(21)15-8-4-5-9-16(15)20(18)22/h2-11,21H,1H3

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)=92.1989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.33 g/mol  logS: -6.12138  SlogP: 4.77082  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121922  Sterimol/B1: 2.34134  Sterimol/B2: 4.1237  Sterimol/B3: 4.32374
  Sterimol/B4: 8.37709  Sterimol/L: 14.2684 
 
 Surface and Volume Properties
  Accessible surface: 508.214  Positive charged surface: 261.211  Negative charged surface: 238.056  Volume: 283
  Hydrophobic surface: 439.115  Hydrophilic surface: 69.099
 
 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:  
   

Ions/Tautomers related molecules


MMs02996744
PUBCHEM-ZINC03122155