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


APOLLO-ZINC03183370

 MMsINC code: MMs00056045
Type: Neutral
Formula: C10H18F3O5P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OCCCC)(=O)C
InChI:   InChI=1/C10H18F3O5P/c1-4-6-7-17-19(3,15)18-8(10(11,12)13)9(14)16-5-2/h8H,4-7H2,1-3H3/t8-,19+/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)=16.1315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.217 g/mol  logS: -2.47395  SlogP: 2.4863  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.148101  Sterimol/B1: 3.01792  Sterimol/B2: 3.52265  Sterimol/B3: 3.60058
  Sterimol/B4: 9.14837  Sterimol/L: 12.0276 
 
 Surface and Volume Properties
  Accessible surface: 531.632  Positive charged surface: 303.666  Negative charged surface: 227.966  Volume: 255.75
  Hydrophobic surface: 308.582  Hydrophilic surface: 223.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.