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


IBS-ZINC02343824

 MMsINC code: MMs01838128
Type: Neutral
Formula: C19H28FO4P
SMILES:   P(OC1CCCCC1)(OC1CCCCC1)(=O)C(O)c1ccc(F)cc1
InChI:   InChI=1/C19H28FO4P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h11-14,17-19,21H,1-10H2/t19-/m1/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)=68.4449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.401 g/mol  logS: -4.29473  SlogP: 4.7336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1418  Sterimol/B1: 2.92818  Sterimol/B2: 4.31068  Sterimol/B3: 4.65521
  Sterimol/B4: 6.98764  Sterimol/L: 15.8049 
 
 Surface and Volume Properties
  Accessible surface: 602.576  Positive charged surface: 403.898  Negative charged surface: 198.678  Volume: 351.75
  Hydrophobic surface: 545.619  Hydrophilic surface: 56.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.