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


PUBCHEM-ZINC00530164

 MMsINC code: MMs02700215
Type: Neutral
Formula: C16H19FNO3P
SMILES:   P(OC)(=O)(C(O)c1ccccc1F)c1ccc(N(C)C)cc1
InChI:   InChI=1/C16H19FNO3P/c1-18(2)12-8-10-13(11-9-12)22(20,21-3)16(19)14-6-4-5-7-15(14)17/h4-11,16,19H,1-3H3/t16-,22+/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)=100.994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.304 g/mol  logS: -2.84916  SlogP: 2.1579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553508  Sterimol/B1: 2.95047  Sterimol/B2: 3.15705  Sterimol/B3: 4.36151
  Sterimol/B4: 5.30055  Sterimol/L: 16.7733 
 
 Surface and Volume Properties
  Accessible surface: 538.708  Positive charged surface: 363.921  Negative charged surface: 174.786  Volume: 299.125
  Hydrophobic surface: 487.55  Hydrophilic surface: 51.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.