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DSC-ZINC04352567

 MMsINC code: MMs01221788
Type: Neutral
Formula: C4H5F6O3P
SMILES:   [PH](OCC(F)(F)F)(OCC(F)(F)F)=O
InChI:   InChI=1/C4H5F6O3P/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h14H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.5138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.043 g/mol  logS: -2.38869  SlogP: 2.3035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661719  Sterimol/B1: 2.89606  Sterimol/B2: 2.94075  Sterimol/B3: 3.11121
  Sterimol/B4: 3.65487  Sterimol/L: 12.8628 
 
 Surface and Volume Properties
  Accessible surface: 380.476  Positive charged surface: 96.2622  Negative charged surface: 284.213  Volume: 146.75
  Hydrophobic surface: 99.454  Hydrophilic surface: 281.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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
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Ions/Tautomers related molecules: no related molecules available.