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PUBCHEM-ZINC05760897

 MMsINC code: MMs03374119
Type: Neutral
Formula: C7H16FO3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)CF
InChI:   InChI=1/C7H16FO3P/c1-6(2)10-12(9,5-8)11-7(3)4/h6-7H,5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.4978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.174 g/mol  logS: -0.94941  SlogP: 1.8863  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156398  Sterimol/B1: 2.11345  Sterimol/B2: 2.96432  Sterimol/B3: 4.16704
  Sterimol/B4: 6.7459  Sterimol/L: 11.5061 
 
 Surface and Volume Properties
  Accessible surface: 407.845  Positive charged surface: 264.973  Negative charged surface: 142.872  Volume: 184.75
  Hydrophobic surface: 264.554  Hydrophilic surface: 143.291
 
 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.