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


NCID-ZINC01720561

 MMsINC code: MMs02345554
Type: Neutral
Formula: C20H18NO4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)CC(=O)Nc1ccccc1
InChI:   InChI=1/C20H18NO4P/c22-20(21-17-10-4-1-5-11-17)16-26(23,24-18-12-6-2-7-13-18)25-19-14-8-3-9-15-19/h1-15H,16H2,(H,21,22)

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)=76.9476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.341 g/mol  logS: -5.01197  SlogP: 3.906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943829  Sterimol/B1: 2.92025  Sterimol/B2: 4.31162  Sterimol/B3: 5.97746
  Sterimol/B4: 7.06823  Sterimol/L: 15.4114 
 
 Surface and Volume Properties
  Accessible surface: 628.172  Positive charged surface: 344.535  Negative charged surface: 283.637  Volume: 342.75
  Hydrophobic surface: 568.225  Hydrophilic surface: 59.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.