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


NCID-ZINC01717465

 MMsINC code: MMs02342892
Type: Neutral
Formula: C14H13O4P
SMILES:   P(O)(=O)(C(C(O)=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H13O4P/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)(H,17,18)/t13-/m0/s1

Download   format file 
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)=41.0474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.228 g/mol  logS: -2.59924  SlogP: 1.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941199  Sterimol/B1: 3.30669  Sterimol/B2: 3.74696  Sterimol/B3: 4.42805
  Sterimol/B4: 4.80411  Sterimol/L: 14.6687 
 
 Surface and Volume Properties
  Accessible surface: 473.278  Positive charged surface: 229.7  Negative charged surface: 243.578  Volume: 246.75
  Hydrophobic surface: 350.378  Hydrophilic surface: 122.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02342893
NCID-ZINC01717465