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PUBCHEM-ZINC05859471

 MMsINC code: MMs03421470
Type: Neutral
Formula: C5H12FO3P
SMILES:   P(OCC)(OCC)(=O)CF
InChI:   InChI=1/C5H12FO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.12 g/mol  logS: -0.29499  SlogP: 1.1093  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.149593  Sterimol/B1: 2.49347  Sterimol/B2: 2.76674  Sterimol/B3: 4.06629
  Sterimol/B4: 6.23459  Sterimol/L: 10.4866 
 
 Surface and Volume Properties
  Accessible surface: 366.356  Positive charged surface: 243.712  Negative charged surface: 122.644  Volume: 149.375
  Hydrophobic surface: 242.15  Hydrophilic surface: 124.206
 
 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.