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PUBCHEM-ZINC05112727

 MMsINC code: MMs03201147
Type: Neutral
Formula: C4H6F3O5P
SMILES:   P(OCC(=O)CC(F)(F)F)(O)(O)=O
InChI:   InChI=1/C4H6F3O5P/c5-4(6,7)1-3(8)2-12-13(9,10)11/h1-2H2,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-64.1834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.055 g/mol  logS: -0.47184  SlogP: -0.0331  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0833147  Sterimol/B1: 2.32516  Sterimol/B2: 3.23735  Sterimol/B3: 3.2518
  Sterimol/B4: 3.66777  Sterimol/L: 12.2751 
 
 Surface and Volume Properties
  Accessible surface: 362.309  Positive charged surface: 146.132  Negative charged surface: 216.176  Volume: 142
  Hydrophobic surface: 73.5088  Hydrophilic surface: 288.8002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03201148
PUBCHEM-ZINC05112727