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


OAKWOOD-ZINC02574078

 MMsINC code: MMs02546520
Type: Neutral
Formula: C15H14O4
SMILES:   O(C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H14O4/c1-18-13-8-7-12(9-14(13)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3,(H,16,17)

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)=88.4841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.273 g/mol  logS: -3.88142  SlogP: 3.069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00752763  Sterimol/B1: 2.37288  Sterimol/B2: 2.38121  Sterimol/B3: 2.5133
  Sterimol/B4: 7.17044  Sterimol/L: 16.0621 
 
 Surface and Volume Properties
  Accessible surface: 494.292  Positive charged surface: 315.883  Negative charged surface: 166.481  Volume: 247.75
  Hydrophobic surface: 379.742  Hydrophilic surface: 114.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02546521
OAKWOOD-ZINC02574078