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


PUBCHEM-ZINC03033077

 MMsINC code: MMs02983441
Type: Neutral
Formula: C19H17O4P
SMILES:   P(Oc1ccccc1C)(Oc1ccccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h2-15H,1H3

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)=87.6093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.315 g/mol  logS: -5.13265  SlogP: 4.56972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216861  Sterimol/B1: 2.06822  Sterimol/B2: 6.15663  Sterimol/B3: 6.28525
  Sterimol/B4: 6.8513  Sterimol/L: 12.8956 
 
 Surface and Volume Properties
  Accessible surface: 575.209  Positive charged surface: 306.154  Negative charged surface: 269.055  Volume: 318.875
  Hydrophobic surface: 547.827  Hydrophilic surface: 27.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.