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


NCID-ZINC01704033

 MMsINC code: MMs02332937
Type: Neutral
Formula: C17H10O
SMILES:   O=C1c2c(-c3c1cccc3)cc1c(c2)cccc1
InChI:   InChI=1/C17H10O/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h1-10H

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)=74.7182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.266 g/mol  logS: -6.11645  SlogP: 4.0512  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.07156e-07  Sterimol/B1: 2.09742  Sterimol/B2: 2.09839  Sterimol/B3: 2.99667
  Sterimol/B4: 6.00225  Sterimol/L: 14.3053 
 
 Surface and Volume Properties
  Accessible surface: 440.083  Positive charged surface: 208.789  Negative charged surface: 208.698  Volume: 228.875
  Hydrophobic surface: 394.346  Hydrophilic surface: 45.737
 
 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.