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


ACROSORGANICS-ZINC02565512

 MMsINC code: MMs00014411
Type: Neutral
Formula: C14H12O2
SMILES:   OC(=O)c1ccc(cc1)-c1ccc(cc1)C
InChI:   InChI=1/C14H12O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9H,1H3,(H,15,16)

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)=59.6112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.248 g/mol  logS: -4.25458  SlogP: 3.36022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00441929  Sterimol/B1: 2.10225  Sterimol/B2: 2.5122  Sterimol/B3: 3.57394
  Sterimol/B4: 3.84986  Sterimol/L: 14.9477 
 
 Surface and Volume Properties
  Accessible surface: 435.215  Positive charged surface: 217.942  Negative charged surface: 206.652  Volume: 212.875
  Hydrophobic surface: 338.466  Hydrophilic surface: 96.749
 
 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


MMs00014412
ACROSORGANICS-ZINC02565512