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DSC-ZINC02557000

 MMsINC code: MMs01221725
Type: Neutral
Formula: C5H11F2O3P
SMILES:   P(OCC)(OCC)(=O)C(F)F
InChI:   InChI=1/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.1542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.11 g/mol  logS: -0.34967  SlogP: 1.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14908  Sterimol/B1: 2.49967  Sterimol/B2: 2.79066  Sterimol/B3: 4.05395
  Sterimol/B4: 6.45743  Sterimol/L: 10.4816 
 
 Surface and Volume Properties
  Accessible surface: 373.425  Positive charged surface: 216.823  Negative charged surface: 156.603  Volume: 152.75
  Hydrophobic surface: 205.544  Hydrophilic surface: 167.881
 
 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.